Found 113 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040583
((R)-4-(1,3-Dioxo-5-propoxy-1,3-dihydro-isoindol-2-...)Show SMILES CCCOc1ccc2C(=O)N(CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC)C(O)=O)C(=O)c2c1 Show InChI InChI=1S/C31H40N4O7/c1-5-15-42-21-11-12-22-23(18-21)30(39)35(29(22)38)14-13-24(31(40)41)33-25(16-19(2)3)28(37)34-26(27(36)32-4)17-20-9-7-6-8-10-20/h6-12,18-19,24-26,33H,5,13-17H2,1-4H3,(H,32,36)(H,34,37)(H,40,41)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040607
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O7/c1-18(2)14-26(29(39)35-27(28(38)33-3)15-19-8-10-22(37)11-9-19)34-25(32(42)43)12-13-36-30(40)23-16-20-6-4-5-7-21(20)17-24(23)31(36)41/h4-11,16-18,25-27,34,37H,12-15H2,1-3H3,(H,33,38)(H,35,39)(H,42,43)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040600
((R)-4-(1,3-Dioxo-5-phenyl-1,3-dihydro-isoindol-2-y...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccc(cc2C1=O)-c1ccccc1)C(O)=O Show InChI InChI=1S/C34H38N4O6/c1-21(2)18-28(31(40)37-29(30(39)35-3)19-22-10-6-4-7-11-22)36-27(34(43)44)16-17-38-32(41)25-15-14-24(20-26(25)33(38)42)23-12-8-5-9-13-23/h4-15,20-21,27-29,36H,16-19H2,1-3H3,(H,35,39)(H,37,40)(H,43,44)/t27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040585
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCn1c(=O)c2cc3c(cc2c1=O)c(=O)[nH]c3=O)C(O)=O Show InChI InChI=1S/C30H33N5O8/c1-15(2)11-22(27(39)33-23(26(38)31-3)12-16-7-5-4-6-8-16)32-21(30(42)43)9-10-35-28(40)19-13-17-18(14-20(19)29(35)41)25(37)34-24(17)36/h4-8,13-15,21-23,32H,9-12H2,1-3H3,(H,31,38)(H,33,39)(H,42,43)(H,34,36,37)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040593
((R)-4-(5,7-Dioxo-5,7-dihydro-[1,3]dioxolo[4,5-f]is...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3OCOc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H34N4O8/c1-16(2)11-21(26(35)32-22(25(34)30-3)12-17-7-5-4-6-8-17)31-20(29(38)39)9-10-33-27(36)18-13-23-24(41-15-40-23)14-19(18)28(33)37/h4-8,13-14,16,20-22,31H,9-12,15H2,1-3H3,(H,30,34)(H,32,35)(H,38,39)/t20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040594
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O6/c1-19(2)15-26(29(38)35-27(28(37)33-3)16-20-9-5-4-6-10-20)34-25(32(41)42)13-14-36-30(39)23-17-21-11-7-8-12-22(21)18-24(23)31(36)40/h4-12,17-19,25-27,34H,13-16H2,1-3H3,(H,33,37)(H,35,38)(H,41,42)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040610
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H32N4O7S/c1-17(2)13-25(26(34)31-16-18-7-9-21(10-8-18)41(30,39)40)32-24(29(37)38)11-12-33-27(35)22-14-19-5-3-4-6-20(19)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H2,30,39,40)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040597
((R)-4-(4-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3c(OC)c2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)16-25(30(39)36-26(29(38)34-3)17-20-10-6-5-7-11-20)35-24(33(42)43)14-15-37-31(40)23-18-21-12-8-9-13-22(21)28(44-4)27(23)32(37)41/h5-13,18-19,24-26,35H,14-17H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040596
((R)-4-(1,3-Dioxo-1,3-dihydro-pyrrolo[3,4-b]quinoli...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3nc2C1=O)C(O)=O Show InChI InChI=1S/C31H35N5O6/c1-18(2)15-24(28(38)35-25(27(37)32-3)16-19-9-5-4-6-10-19)33-23(31(41)42)13-14-36-29(39)21-17-20-11-7-8-12-22(20)34-26(21)30(36)40/h4-12,17-18,23-25,33H,13-16H2,1-3H3,(H,32,37)(H,35,38)(H,41,42)/t23-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040616
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H38N4O6/c1-16(2)12-23(25(34)30-5)32-26(35)24(13-17(3)4)31-22(29(38)39)10-11-33-27(36)20-14-18-8-6-7-9-19(18)15-21(20)28(33)37/h6-9,14-17,22-24,31H,10-13H2,1-5H3,(H,30,34)(H,32,35)(H,38,39)/t22-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040592
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040593
((R)-4-(5,7-Dioxo-5,7-dihydro-[1,3]dioxolo[4,5-f]is...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3OCOc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H34N4O8/c1-16(2)11-21(26(35)32-22(25(34)30-3)12-17-7-5-4-6-8-17)31-20(29(38)39)9-10-33-27(36)18-13-23-24(41-15-40-23)14-19(18)28(33)37/h4-8,13-14,16,20-22,31H,9-12,15H2,1-3H3,(H,30,34)(H,32,35)(H,38,39)/t20-,21+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040609
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H47N5O7/c1-21(2)17-28(30(40)35-10-12-38-13-15-46-16-14-38)37-31(41)29(18-22(3)4)36-27(34(44)45)9-11-39-32(42)25-19-23-7-5-6-8-24(23)20-26(25)33(39)43/h5-8,19-22,27-29,36H,9-18H2,1-4H3,(H,35,40)(H,37,41)(H,44,45)/t27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040613
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)C(NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H34N4O6/c1-18(2)15-25(27(36)34-26(28(37)32-3)19-9-5-4-6-10-19)33-24(31(40)41)13-14-35-29(38)22-16-20-11-7-8-12-21(20)17-23(22)30(35)39/h4-12,16-18,24-26,33H,13-15H2,1-3H3,(H,32,37)(H,34,36)(H,40,41)/t24-,25+,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040583
((R)-4-(1,3-Dioxo-5-propoxy-1,3-dihydro-isoindol-2-...)Show SMILES CCCOc1ccc2C(=O)N(CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC)C(O)=O)C(=O)c2c1 Show InChI InChI=1S/C31H40N4O7/c1-5-15-42-21-11-12-22-23(18-21)30(39)35(29(22)38)14-13-24(31(40)41)33-25(16-19(2)3)28(37)34-26(27(36)32-4)17-20-9-7-6-8-10-20/h6-12,18-19,24-26,33H,5,13-17H2,1-4H3,(H,32,36)(H,34,37)(H,40,41)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040614
((R)-4-(5-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3cccc(OC)c3cc2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)15-26(30(39)36-27(29(38)34-3)16-20-9-6-5-7-10-20)35-25(33(42)43)13-14-37-31(40)23-17-21-11-8-12-28(44-4)22(21)18-24(23)32(37)41/h5-12,17-19,25-27,35H,13-16H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040579
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C29H30FN3O5/c1-17(2)12-25(26(34)31-16-18-6-5-9-21(30)13-18)32-24(29(37)38)10-11-33-27(35)22-14-19-7-3-4-8-20(19)15-23(22)28(33)36/h3-9,13-15,17,24-25,32H,10-12,16H2,1-2H3,(H,31,34)(H,37,38)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040613
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)C(NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H34N4O6/c1-18(2)15-25(27(36)34-26(28(37)32-3)19-9-5-4-6-10-19)33-24(31(40)41)13-14-35-29(38)22-16-20-11-7-8-12-21(20)17-23(22)30(35)39/h4-12,16-18,24-26,33H,13-15H2,1-3H3,(H,32,37)(H,34,36)(H,40,41)/t24-,25+,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040600
((R)-4-(1,3-Dioxo-5-phenyl-1,3-dihydro-isoindol-2-y...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccc(cc2C1=O)-c1ccccc1)C(O)=O Show InChI InChI=1S/C34H38N4O6/c1-21(2)18-28(31(40)37-29(30(39)35-3)19-22-10-6-4-7-11-22)36-27(34(43)44)16-17-38-32(41)25-15-14-24(20-26(25)33(38)42)23-12-8-5-9-13-23/h4-15,20-21,27-29,36H,16-19H2,1-3H3,(H,35,39)(H,37,40)(H,43,44)/t27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040594
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O6/c1-19(2)15-26(29(38)35-27(28(37)33-3)16-20-9-5-4-6-10-20)34-25(32(41)42)13-14-36-30(39)23-17-21-11-7-8-12-22(21)18-24(23)31(36)40/h4-12,17-19,25-27,34H,13-16H2,1-3H3,(H,33,37)(H,35,38)(H,41,42)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040596
((R)-4-(1,3-Dioxo-1,3-dihydro-pyrrolo[3,4-b]quinoli...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3nc2C1=O)C(O)=O Show InChI InChI=1S/C31H35N5O6/c1-18(2)15-24(28(38)35-25(27(37)32-3)16-19-9-5-4-6-10-19)33-23(31(41)42)13-14-36-29(39)21-17-20-11-7-8-12-22(20)34-26(21)30(36)40/h4-12,17-18,23-25,33H,13-16H2,1-3H3,(H,32,37)(H,35,38)(H,41,42)/t23-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040580
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H39N7O6/c1-16(2)13-23(25(38)35-21(24(37)32-3)9-6-11-33-29(30)31)34-22(28(41)42)10-12-36-26(39)19-14-17-7-4-5-8-18(17)15-20(19)27(36)40/h4-5,7-8,14-16,21-23,34H,6,9-13H2,1-3H3,(H,32,37)(H,35,38)(H,41,42)(H4,30,31,33)/t21-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040605
((R)-4-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinoli...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23)C(O)=O Show InChI InChI=1S/C32H35BrN4O6/c1-18(2)16-25(29(39)36-26(28(38)34-3)17-19-8-5-4-6-9-19)35-24(32(42)43)14-15-37-30(40)21-11-7-10-20-23(33)13-12-22(27(20)21)31(37)41/h4-13,18,24-26,35H,14-17H2,1-3H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040607
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O7/c1-18(2)14-26(29(39)35-27(28(38)33-3)15-19-8-10-22(37)11-9-19)34-25(32(42)43)12-13-36-30(40)23-16-20-6-4-5-7-21(20)17-24(23)31(36)41/h4-11,16-18,25-27,34,37H,12-15H2,1-3H3,(H,33,38)(H,35,39)(H,42,43)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040595
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1nnn(C)n1 Show InChI InChI=1S/C25H29N7O5/c1-14(2)10-20(22(33)26-13-21-28-30-31(3)29-21)27-19(25(36)37)8-9-32-23(34)17-11-15-6-4-5-7-16(15)12-18(17)24(32)35/h4-7,11-12,14,19-20,27H,8-10,13H2,1-3H3,(H,26,33)(H,36,37)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040611
((R)-2-((S)-1-Benzylcarbamoyl-3-methyl-butylamino)-...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H31N3O5/c1-18(2)14-25(26(33)30-17-19-8-4-3-5-9-19)31-24(29(36)37)12-13-32-27(34)22-15-20-10-6-7-11-21(20)16-23(22)28(32)35/h3-11,15-16,18,24-25,31H,12-14,17H2,1-2H3,(H,30,33)(H,36,37)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040589
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-19(2)16-26(27(34)31-14-12-20-8-4-3-5-9-20)32-25(30(37)38)13-15-33-28(35)23-17-21-10-6-7-11-22(21)18-24(23)29(33)36/h3-11,17-19,25-26,32H,12-16H2,1-2H3,(H,31,34)(H,37,38)/t25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040602
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H30N4O5/c1-17(2)12-24(25(33)30-16-18-6-5-10-29-15-18)31-23(28(36)37)9-11-32-26(34)21-13-19-7-3-4-8-20(19)14-22(21)27(32)35/h3-8,10,13-15,17,23-24,31H,9,11-12,16H2,1-2H3,(H,30,33)(H,36,37)/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040614
((R)-4-(5-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3cccc(OC)c3cc2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)15-26(30(39)36-27(29(38)34-3)16-20-9-6-5-7-10-20)35-25(33(42)43)13-14-37-31(40)23-17-21-11-8-12-28(44-4)22(21)18-24(23)32(37)41/h5-12,17-19,25-27,35H,13-16H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040615
((R)-4-(6-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccc(OC)cc3cc2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)14-27(30(39)36-28(29(38)34-3)15-20-8-6-5-7-9-20)35-26(33(42)43)12-13-37-31(40)24-17-21-10-11-23(44-4)16-22(21)18-25(24)32(37)41/h5-11,16-19,26-28,35H,12-15H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t26-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040590
((R)-2-[(S)-1-(Benzyl-methyl-carbamoyl)-3-methyl-bu...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-19(2)15-26(29(36)32(3)18-20-9-5-4-6-10-20)31-25(30(37)38)13-14-33-27(34)23-16-21-11-7-8-12-22(21)17-24(23)28(33)35/h4-12,16-17,19,25-26,31H,13-15,18H2,1-3H3,(H,37,38)/t25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040585
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCn1c(=O)c2cc3c(cc2c1=O)c(=O)[nH]c3=O)C(O)=O Show InChI InChI=1S/C30H33N5O8/c1-15(2)11-22(27(39)33-23(26(38)31-3)12-16-7-5-4-6-8-16)32-21(30(42)43)9-10-35-28(40)19-13-17-18(14-20(19)29(35)41)25(37)34-24(17)36/h4-8,13-15,21-23,32H,9-12H2,1-3H3,(H,31,38)(H,33,39)(H,42,43)(H,34,36,37)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040579
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C29H30FN3O5/c1-17(2)12-25(26(34)31-16-18-6-5-9-21(30)13-18)32-24(29(37)38)10-11-33-27(35)22-14-19-7-3-4-8-20(19)15-23(22)28(33)36/h3-9,13-15,17,24-25,32H,10-12,16H2,1-2H3,(H,31,34)(H,37,38)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040609
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H47N5O7/c1-21(2)17-28(30(40)35-10-12-38-13-15-46-16-14-38)37-31(41)29(18-22(3)4)36-27(34(44)45)9-11-39-32(42)25-19-23-7-5-6-8-24(23)20-26(25)33(39)43/h5-8,19-22,27-29,36H,9-18H2,1-4H3,(H,35,40)(H,37,41)(H,44,45)/t27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040601
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040616
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H38N4O6/c1-16(2)12-23(25(34)30-5)32-26(35)24(13-17(3)4)31-22(29(38)39)10-11-33-27(36)20-14-18-8-6-7-9-19(18)15-21(20)28(33)37/h6-9,14-17,22-24,31H,10-13H2,1-5H3,(H,30,34)(H,32,35)(H,38,39)/t22-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040592
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040597
((R)-4-(4-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3c(OC)c2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)16-25(30(39)36-26(29(38)34-3)17-20-10-6-5-7-11-20)35-24(33(42)43)14-15-37-31(40)23-18-21-12-8-9-13-22(21)28(44-4)27(23)32(37)41/h5-13,18-19,24-26,35H,14-17H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040603
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(26(34)30-12-10-29(3)11-13-30)28-22(27(35)36)8-9-31-24(32)20-15-18-6-4-5-7-19(18)16-21(20)25(31)33/h4-7,15-17,22-23,28H,8-14H2,1-3H3,(H,35,36)/t22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040599
(4-({(S)-2-[(R)-1-Carboxy-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H31N3O7/c1-17(2)13-25(26(34)31-16-18-7-9-19(10-8-18)29(37)38)32-24(30(39)40)11-12-33-27(35)22-14-20-5-3-4-6-21(20)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H,39,40)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040590
((R)-2-[(S)-1-(Benzyl-methyl-carbamoyl)-3-methyl-bu...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-19(2)15-26(29(36)32(3)18-20-9-5-4-6-10-20)31-25(30(37)38)13-14-33-27(34)23-16-21-11-7-8-12-22(21)17-24(23)28(33)35/h4-12,16-17,19,25-26,31H,13-15,18H2,1-3H3,(H,37,38)/t25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040582
((R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O Show InChI InChI=1S/C28H34N4O6/c1-17(2)15-22(25(34)31-23(24(33)29-3)16-18-9-5-4-6-10-18)30-21(28(37)38)13-14-32-26(35)19-11-7-8-12-20(19)27(32)36/h4-12,17,21-23,30H,13-16H2,1-3H3,(H,29,33)(H,31,34)(H,37,38)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040586
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1Cc2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H38N4O5/c1-20(2)15-27(30(38)35-28(29(37)33-3)16-21-9-5-4-6-10-21)34-26(32(40)41)13-14-36-19-24-17-22-11-7-8-12-23(22)18-25(24)31(36)39/h4-12,17-18,20,26-28,34H,13-16,19H2,1-3H3,(H,33,37)(H,35,38)(H,40,41)/t26-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040591
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C26H32N4O6/c1-14(2)11-21(23(32)28-15(3)22(31)27-4)29-20(26(35)36)9-10-30-24(33)18-12-16-7-5-6-8-17(16)13-19(18)25(30)34/h5-8,12-15,20-21,29H,9-11H2,1-4H3,(H,27,31)(H,28,32)(H,35,36)/t15-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040610
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H32N4O7S/c1-17(2)13-25(26(34)31-16-18-7-9-21(10-8-18)41(30,39)40)32-24(29(37)38)11-12-33-27(35)22-14-19-5-3-4-6-20(19)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H2,30,39,40)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040603
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(26(34)30-12-10-29(3)11-13-30)28-22(27(35)36)8-9-31-24(32)20-15-18-6-4-5-7-19(18)16-21(20)25(31)33/h4-7,15-17,22-23,28H,8-14H2,1-3H3,(H,35,36)/t22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040587
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCCC1c1cccnc1 Show InChI InChI=1S/C31H34N4O5/c1-19(2)15-26(30(38)34-13-6-10-27(34)22-9-5-12-32-18-22)33-25(31(39)40)11-14-35-28(36)23-16-20-7-3-4-8-21(20)17-24(23)29(35)37/h3-5,7-9,12,16-19,25-27,33H,6,10-11,13-15H2,1-2H3,(H,39,40)/t25-,26+,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040607
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O7/c1-18(2)14-26(29(39)35-27(28(38)33-3)15-19-8-10-22(37)11-9-19)34-25(32(42)43)12-13-36-30(40)23-16-20-6-4-5-7-21(20)17-24(23)31(36)41/h4-11,16-18,25-27,34,37H,12-15H2,1-3H3,(H,33,38)(H,35,39)(H,42,43)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040599
(4-({(S)-2-[(R)-1-Carboxy-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H31N3O7/c1-17(2)13-25(26(34)31-16-18-7-9-19(10-8-18)29(37)38)32-24(30(39)40)11-12-33-27(35)22-14-20-5-3-4-6-21(20)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H,39,40)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040606
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040608
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC1CCCc2ccccc12 Show InChI InChI=1S/C32H35N3O5/c1-19(2)16-28(29(36)34-26-13-7-11-20-8-5-6-12-23(20)26)33-27(32(39)40)14-15-35-30(37)24-17-21-9-3-4-10-22(21)18-25(24)31(35)38/h3-6,8-10,12,17-19,26-28,33H,7,11,13-16H2,1-2H3,(H,34,36)(H,39,40)/t26?,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040606
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040582
((R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O Show InChI InChI=1S/C28H34N4O6/c1-17(2)15-22(25(34)31-23(24(33)29-3)16-18-9-5-4-6-10-18)30-21(28(37)38)13-14-32-26(35)19-11-7-8-12-20(19)27(32)36/h4-12,17,21-23,30H,13-16H2,1-3H3,(H,29,33)(H,31,34)(H,37,38)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040581
((R)-2-((S)-1-Dimethylcarbamoyl-3-methyl-butylamino...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N(C)C Show InChI InChI=1S/C24H29N3O5/c1-14(2)11-20(23(30)26(3)4)25-19(24(31)32)9-10-27-21(28)17-12-15-7-5-6-8-16(15)13-18(17)22(27)29/h5-8,12-14,19-20,25H,9-11H2,1-4H3,(H,31,32)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040604
((R)-2-[(S)-1-(3,4-Dihydro-1H-isoquinoline-2-carbon...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C31H33N3O5/c1-19(2)15-27(30(37)33-13-11-20-7-3-6-10-23(20)18-33)32-26(31(38)39)12-14-34-28(35)24-16-21-8-4-5-9-22(21)17-25(24)29(34)36/h3-10,16-17,19,26-27,32H,11-15,18H2,1-2H3,(H,38,39)/t26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040591
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C26H32N4O6/c1-14(2)11-21(23(32)28-15(3)22(31)27-4)29-20(26(35)36)9-10-30-24(33)18-12-16-7-5-6-8-17(16)13-19(18)25(30)34/h5-8,12-15,20-21,29H,9-11H2,1-4H3,(H,27,31)(H,28,32)(H,35,36)/t15-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040581
((R)-2-((S)-1-Dimethylcarbamoyl-3-methyl-butylamino...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N(C)C Show InChI InChI=1S/C24H29N3O5/c1-14(2)11-20(23(30)26(3)4)25-19(24(31)32)9-10-27-21(28)17-12-15-7-5-6-8-16(15)13-18(17)22(27)29/h5-8,12-14,19-20,25H,9-11H2,1-4H3,(H,31,32)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040611
((R)-2-((S)-1-Benzylcarbamoyl-3-methyl-butylamino)-...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H31N3O5/c1-18(2)14-25(26(33)30-17-19-8-4-3-5-9-19)31-24(29(36)37)12-13-32-27(34)22-15-20-10-6-7-11-21(20)16-23(22)28(32)35/h3-11,15-16,18,24-25,31H,12-14,17H2,1-2H3,(H,30,33)(H,36,37)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040604
((R)-2-[(S)-1-(3,4-Dihydro-1H-isoquinoline-2-carbon...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C31H33N3O5/c1-19(2)15-27(30(37)33-13-11-20-7-3-6-10-23(20)18-33)32-26(31(38)39)12-14-34-28(35)24-16-21-8-4-5-9-22(21)17-25(24)29(34)36/h3-10,16-17,19,26-27,32H,11-15,18H2,1-2H3,(H,38,39)/t26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040594
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O6/c1-19(2)15-26(29(38)35-27(28(37)33-3)16-20-9-5-4-6-10-20)34-25(32(41)42)13-14-36-30(39)23-17-21-11-7-8-12-22(21)18-24(23)31(36)40/h4-12,17-19,25-27,34H,13-16H2,1-3H3,(H,33,37)(H,35,38)(H,41,42)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040598
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H29N3O5/c1-17(2)14-24(25(32)29-20-10-4-3-5-11-20)30-23(28(35)36)12-13-31-26(33)21-15-18-8-6-7-9-19(18)16-22(21)27(31)34/h3-11,15-17,23-24,30H,12-14H2,1-2H3,(H,29,32)(H,35,36)/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040612
((R)-4-Benzyloxycarbonylamino-2-[(S)-3-methyl-1-((S...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C28H38N4O6/c1-19(2)16-23(26(34)32-24(25(33)29-3)17-20-10-6-4-7-11-20)31-22(27(35)36)14-15-30-28(37)38-18-21-12-8-5-9-13-21/h4-13,19,22-24,31H,14-18H2,1-3H3,(H,29,33)(H,30,37)(H,32,34)(H,35,36)/t22-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040608
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC1CCCc2ccccc12 Show InChI InChI=1S/C32H35N3O5/c1-19(2)16-28(29(36)34-26-13-7-11-20-8-5-6-12-23(20)26)33-27(32(39)40)14-15-35-30(37)24-17-21-9-3-4-10-22(21)18-25(24)31(35)38/h3-6,8-10,12,17-19,26-28,33H,7,11,13-16H2,1-2H3,(H,34,36)(H,39,40)/t26?,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040609
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C34H47N5O7/c1-21(2)17-28(30(40)35-10-12-38-13-15-46-16-14-38)37-31(41)29(18-22(3)4)36-27(34(44)45)9-11-39-32(42)25-19-23-7-5-6-8-24(23)20-26(25)33(39)43/h5-8,19-22,27-29,36H,9-18H2,1-4H3,(H,35,40)(H,37,41)(H,44,45)/t27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040588
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C25H30N4O6/c1-14(2)10-20(22(31)27-13-21(30)26-3)28-19(25(34)35)8-9-29-23(32)17-11-15-6-4-5-7-16(15)12-18(17)24(29)33/h4-7,11-12,14,19-20,28H,8-10,13H2,1-3H3,(H,26,30)(H,27,31)(H,34,35)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040602
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H30N4O5/c1-17(2)12-24(25(33)30-16-18-6-5-10-29-15-18)31-23(28(36)37)9-11-32-26(34)21-13-19-7-3-4-8-20(19)14-22(21)27(32)35/h3-8,10,13-15,17,23-24,31H,9,11-12,16H2,1-2H3,(H,30,33)(H,36,37)/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040580
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H39N7O6/c1-16(2)13-23(25(38)35-21(24(37)32-3)9-6-11-33-29(30)31)34-22(28(41)42)10-12-36-26(39)19-14-17-7-4-5-8-18(17)15-20(19)27(36)40/h4-5,7-8,14-16,21-23,34H,6,9-13H2,1-3H3,(H,32,37)(H,35,38)(H,41,42)(H4,30,31,33)/t21-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040589
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-19(2)16-26(27(34)31-14-12-20-8-4-3-5-9-20)32-25(30(37)38)13-15-33-28(35)23-17-21-10-6-7-11-22(21)18-24(23)29(33)36/h3-11,17-19,25-26,32H,12-16H2,1-2H3,(H,31,34)(H,37,38)/t25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040587
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCCC1c1cccnc1 Show InChI InChI=1S/C31H34N4O5/c1-19(2)15-26(30(38)34-13-6-10-27(34)22-9-5-12-32-18-22)33-25(31(39)40)11-14-35-28(36)23-16-20-7-3-4-8-21(20)17-24(23)29(35)37/h3-5,7-9,12,16-19,25-27,33H,6,10-11,13-15H2,1-2H3,(H,39,40)/t25-,26+,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040587
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCCC1c1cccnc1 Show InChI InChI=1S/C31H34N4O5/c1-19(2)15-26(30(38)34-13-6-10-27(34)22-9-5-12-32-18-22)33-25(31(39)40)11-14-35-28(36)23-16-20-7-3-4-8-21(20)17-24(23)29(35)37/h3-5,7-9,12,16-19,25-27,33H,6,10-11,13-15H2,1-2H3,(H,39,40)/t25-,26+,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040599
(4-({(S)-2-[(R)-1-Carboxy-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H31N3O7/c1-17(2)13-25(26(34)31-16-18-7-9-19(10-8-18)29(37)38)32-24(30(39)40)11-12-33-27(35)22-14-20-5-3-4-6-21(20)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H,39,40)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040605
((R)-4-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinoli...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23)C(O)=O Show InChI InChI=1S/C32H35BrN4O6/c1-18(2)16-25(29(39)36-26(28(38)34-3)17-19-8-5-4-6-9-19)35-24(32(42)43)14-15-37-30(40)21-11-7-10-20-23(33)13-12-22(27(20)21)31(37)41/h4-13,18,24-26,35H,14-17H2,1-3H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040586
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1Cc2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H38N4O5/c1-20(2)15-27(30(38)35-28(29(37)33-3)16-21-9-5-4-6-10-21)34-26(32(40)41)13-14-36-19-24-17-22-11-7-8-12-23(22)18-25(24)31(36)39/h4-12,17-18,20,26-28,34H,13-16,19H2,1-3H3,(H,33,37)(H,35,38)(H,40,41)/t26-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040600
((R)-4-(1,3-Dioxo-5-phenyl-1,3-dihydro-isoindol-2-y...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccc(cc2C1=O)-c1ccccc1)C(O)=O Show InChI InChI=1S/C34H38N4O6/c1-21(2)18-28(31(40)37-29(30(39)35-3)19-22-10-6-4-7-11-22)36-27(34(43)44)16-17-38-32(41)25-15-14-24(20-26(25)33(38)42)23-12-8-5-9-13-23/h4-15,20-21,27-29,36H,16-19H2,1-3H3,(H,35,39)(H,37,40)(H,43,44)/t27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040595
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1nnn(C)n1 Show InChI InChI=1S/C25H29N7O5/c1-14(2)10-20(22(33)26-13-21-28-30-31(3)29-21)27-19(25(36)37)8-9-32-23(34)17-11-15-6-4-5-7-16(15)12-18(17)24(32)35/h4-7,11-12,14,19-20,27H,8-10,13H2,1-3H3,(H,26,33)(H,36,37)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040610
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H32N4O7S/c1-17(2)13-25(26(34)31-16-18-7-9-21(10-8-18)41(30,39)40)32-24(29(37)38)11-12-33-27(35)22-14-19-5-3-4-6-20(19)15-23(22)28(33)36/h3-10,14-15,17,24-25,32H,11-13,16H2,1-2H3,(H,31,34)(H,37,38)(H2,30,39,40)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040602
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H30N4O5/c1-17(2)12-24(25(33)30-16-18-6-5-10-29-15-18)31-23(28(36)37)9-11-32-26(34)21-13-19-7-3-4-8-20(19)14-22(21)27(32)35/h3-8,10,13-15,17,23-24,31H,9,11-12,16H2,1-2H3,(H,30,33)(H,36,37)/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040605
((R)-4-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinoli...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23)C(O)=O Show InChI InChI=1S/C32H35BrN4O6/c1-18(2)16-25(29(39)36-26(28(38)34-3)17-19-8-5-4-6-9-19)35-24(32(42)43)14-15-37-30(40)21-11-7-10-20-23(33)13-12-22(27(20)21)31(37)41/h4-13,18,24-26,35H,14-17H2,1-3H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040588
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C25H30N4O6/c1-14(2)10-20(22(31)27-13-21(30)26-3)28-19(25(34)35)8-9-29-23(32)17-11-15-6-4-5-7-16(15)12-18(17)24(29)33/h4-7,11-12,14,19-20,28H,8-10,13H2,1-3H3,(H,26,30)(H,27,31)(H,34,35)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040583
((R)-4-(1,3-Dioxo-5-propoxy-1,3-dihydro-isoindol-2-...)Show SMILES CCCOc1ccc2C(=O)N(CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)NC)C(O)=O)C(=O)c2c1 Show InChI InChI=1S/C31H40N4O7/c1-5-15-42-21-11-12-22-23(18-21)30(39)35(29(22)38)14-13-24(31(40)41)33-25(16-19(2)3)28(37)34-26(27(36)32-4)17-20-9-7-6-8-10-20/h6-12,18-19,24-26,33H,5,13-17H2,1-4H3,(H,32,36)(H,34,37)(H,40,41)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 427 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040580
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H39N7O6/c1-16(2)13-23(25(38)35-21(24(37)32-3)9-6-11-33-29(30)31)34-22(28(41)42)10-12-36-26(39)19-14-17-7-4-5-8-18(17)15-20(19)27(36)40/h4-5,7-8,14-16,21-23,34H,6,9-13H2,1-3H3,(H,32,37)(H,35,38)(H,41,42)(H4,30,31,33)/t21-,22+,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040601
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 488 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040584
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C23H27N3O5/c1-13(2)10-19(20(27)24-3)25-18(23(30)31)8-9-26-21(28)16-11-14-6-4-5-7-15(14)12-17(16)22(26)29/h4-7,11-13,18-19,25H,8-10H2,1-3H3,(H,24,27)(H,30,31)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040596
((R)-4-(1,3-Dioxo-1,3-dihydro-pyrrolo[3,4-b]quinoli...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3nc2C1=O)C(O)=O Show InChI InChI=1S/C31H35N5O6/c1-18(2)15-24(28(38)35-25(27(37)32-3)16-19-9-5-4-6-10-19)33-23(31(41)42)13-14-36-29(39)21-17-20-11-7-8-12-22(20)34-26(21)30(36)40/h4-12,17-18,23-25,33H,13-16H2,1-3H3,(H,32,37)(H,35,38)(H,41,42)/t23-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 518 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040612
((R)-4-Benzyloxycarbonylamino-2-[(S)-3-methyl-1-((S...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C28H38N4O6/c1-19(2)16-23(26(34)32-24(25(33)29-3)17-20-10-6-4-7-11-20)31-22(27(35)36)14-15-30-28(37)38-18-21-12-8-5-9-13-21/h4-13,19,22-24,31H,14-18H2,1-3H3,(H,29,33)(H,30,37)(H,32,34)(H,35,36)/t22-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040613
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)C(NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)c1ccccc1 Show InChI InChI=1S/C31H34N4O6/c1-18(2)15-25(27(36)34-26(28(37)32-3)19-9-5-4-6-10-19)33-24(31(40)41)13-14-35-29(38)22-16-20-11-7-8-12-21(20)17-23(22)30(35)39/h4-12,16-18,24-26,33H,13-15H2,1-3H3,(H,32,37)(H,34,36)(H,40,41)/t24-,25+,26?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50040584
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C23H27N3O5/c1-13(2)10-19(20(27)24-3)25-18(23(30)31)8-9-26-21(28)16-11-14-6-4-5-7-15(14)12-17(16)22(26)29/h4-7,11-13,18-19,25H,8-10H2,1-3H3,(H,24,27)(H,30,31)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 706 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human gelatinase (MMP-9). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040592
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 965 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040590
((R)-2-[(S)-1-(Benzyl-methyl-carbamoyl)-3-methyl-bu...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-19(2)15-26(29(36)32(3)18-20-9-5-4-6-10-20)31-25(30(37)38)13-14-33-27(34)23-16-21-11-7-8-12-22(21)17-24(23)28(33)35/h4-12,16-17,19,25-26,31H,13-15,18H2,1-3H3,(H,37,38)/t25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50040598
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H29N3O5/c1-17(2)14-24(25(32)29-20-10-4-3-5-11-20)30-23(28(35)36)12-13-31-26(33)21-15-18-8-6-7-9-19(18)16-22(21)27(31)34/h3-11,15-17,23-24,30H,12-14H2,1-2H3,(H,29,32)(H,35,36)/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human collagenase (MMP-1). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040616
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C29H38N4O6/c1-16(2)12-23(25(34)30-5)32-26(35)24(13-17(3)4)31-22(29(38)39)10-11-33-27(36)20-14-18-8-6-7-9-19(18)15-21(20)28(33)37/h6-9,14-17,22-24,31H,10-13H2,1-5H3,(H,30,34)(H,32,35)(H,38,39)/t22-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040597
((R)-4-(4-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3c(OC)c2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)16-25(30(39)36-26(29(38)34-3)17-20-10-6-5-7-11-20)35-24(33(42)43)14-15-37-31(40)23-18-21-12-8-9-13-22(21)28(44-4)27(23)32(37)41/h5-13,18-19,24-26,35H,14-17H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040614
((R)-4-(5-Methoxy-1,3-dioxo-1,3-dihydro-benzo[f]iso...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3cccc(OC)c3cc2C1=O)C(O)=O Show InChI InChI=1S/C33H38N4O7/c1-19(2)15-26(30(39)36-27(29(38)34-3)16-20-9-6-5-7-10-20)35-25(33(42)43)13-14-37-31(40)23-17-21-11-8-12-28(44-4)22(21)18-24(23)32(37)41/h5-12,17-19,25-27,35H,13-16H2,1-4H3,(H,34,38)(H,36,39)(H,42,43)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040579
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C29H30FN3O5/c1-17(2)12-25(26(34)31-16-18-6-5-9-21(30)13-18)32-24(29(37)38)10-11-33-27(35)22-14-19-7-3-4-8-20(19)15-23(22)28(33)36/h3-9,13-15,17,24-25,32H,10-12,16H2,1-2H3,(H,31,34)(H,37,38)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040611
((R)-2-((S)-1-Benzylcarbamoyl-3-methyl-butylamino)-...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H31N3O5/c1-18(2)14-25(26(33)30-17-19-8-4-3-5-9-19)31-24(29(36)37)12-13-32-27(34)22-15-20-10-6-7-11-21(20)16-23(22)28(32)35/h3-11,15-16,18,24-25,31H,12-14,17H2,1-2H3,(H,30,33)(H,36,37)/t24-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040603
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H34N4O5/c1-17(2)14-23(26(34)30-12-10-29(3)11-13-30)28-22(27(35)36)8-9-31-24(32)20-15-18-6-4-5-7-19(18)16-21(20)25(31)33/h4-7,15-17,22-23,28H,8-14H2,1-3H3,(H,35,36)/t22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040585
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCn1c(=O)c2cc3c(cc2c1=O)c(=O)[nH]c3=O)C(O)=O Show InChI InChI=1S/C30H33N5O8/c1-15(2)11-22(27(39)33-23(26(38)31-3)12-16-7-5-4-6-8-16)32-21(30(42)43)9-10-35-28(40)19-13-17-18(14-20(19)29(35)41)25(37)34-24(17)36/h4-8,13-15,21-23,32H,9-12H2,1-3H3,(H,31,38)(H,33,39)(H,42,43)(H,34,36,37)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040604
((R)-2-[(S)-1-(3,4-Dihydro-1H-isoquinoline-2-carbon...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C31H33N3O5/c1-19(2)15-27(30(37)33-13-11-20-7-3-6-10-23(20)18-33)32-26(31(38)39)12-14-34-28(35)24-16-21-8-4-5-9-22(21)17-25(24)29(34)36/h3-10,16-17,19,26-27,32H,11-15,18H2,1-2H3,(H,38,39)/t26-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040601
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040608
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC1CCCc2ccccc12 Show InChI InChI=1S/C32H35N3O5/c1-19(2)16-28(29(36)34-26-13-7-11-20-8-5-6-12-23(20)26)33-27(32(39)40)14-15-35-30(37)24-17-21-9-3-4-10-22(21)18-25(24)31(35)38/h3-6,8-10,12,17-19,26-28,33H,7,11,13-16H2,1-2H3,(H,34,36)(H,39,40)/t26?,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040595
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1nnn(C)n1 Show InChI InChI=1S/C25H29N7O5/c1-14(2)10-20(22(33)26-13-21-28-30-31(3)29-21)27-19(25(36)37)8-9-32-23(34)17-11-15-6-4-5-7-16(15)12-18(17)24(32)35/h4-7,11-12,14,19-20,27H,8-10,13H2,1-3H3,(H,26,33)(H,36,37)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040612
((R)-4-Benzyloxycarbonylamino-2-[(S)-3-methyl-1-((S...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)OCc1ccccc1)C(O)=O Show InChI InChI=1S/C28H38N4O6/c1-19(2)16-23(26(34)32-24(25(33)29-3)17-20-10-6-4-7-11-20)31-22(27(35)36)14-15-30-28(37)38-18-21-12-8-5-9-13-21/h4-13,19,22-24,31H,14-18H2,1-3H3,(H,29,33)(H,30,37)(H,32,34)(H,35,36)/t22-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040587
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCCC1c1cccnc1 Show InChI InChI=1S/C31H34N4O5/c1-19(2)15-26(30(38)34-13-6-10-27(34)22-9-5-12-32-18-22)33-25(31(39)40)11-14-35-28(36)23-16-20-7-3-4-8-21(20)17-24(23)29(35)37/h3-5,7-9,12,16-19,25-27,33H,6,10-11,13-15H2,1-2H3,(H,39,40)/t25-,26+,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040587
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N1CCCC1c1cccnc1 Show InChI InChI=1S/C31H34N4O5/c1-19(2)15-26(30(38)34-13-6-10-27(34)22-9-5-12-32-18-22)33-25(31(39)40)11-14-35-28(36)23-16-20-7-3-4-8-21(20)17-24(23)29(35)37/h3-5,7-9,12,16-19,25-27,33H,6,10-11,13-15H2,1-2H3,(H,39,40)/t25-,26+,27?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040606
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040591
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C26H32N4O6/c1-14(2)11-21(23(32)28-15(3)22(31)27-4)29-20(26(35)36)9-10-30-24(33)18-12-16-7-5-6-8-17(16)13-19(18)25(30)34/h5-8,12-15,20-21,29H,9-11H2,1-4H3,(H,27,31)(H,28,32)(H,35,36)/t15-,20+,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040582
((R)-4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(O)=O Show InChI InChI=1S/C28H34N4O6/c1-17(2)15-22(25(34)31-23(24(33)29-3)16-18-9-5-4-6-10-18)30-21(28(37)38)13-14-32-26(35)19-11-7-8-12-20(19)27(32)36/h4-12,17,21-23,30H,13-16H2,1-3H3,(H,29,33)(H,31,34)(H,37,38)/t21-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040586
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1Cc2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H38N4O5/c1-20(2)15-27(30(38)35-28(29(37)33-3)16-21-9-5-4-6-10-21)34-26(32(40)41)13-14-36-19-24-17-22-11-7-8-12-23(22)18-25(24)31(36)39/h4-12,17-18,20,26-28,34H,13-16,19H2,1-3H3,(H,33,37)(H,35,38)(H,40,41)/t26-,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040588
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C25H30N4O6/c1-14(2)10-20(22(31)27-13-21(30)26-3)28-19(25(34)35)8-9-29-23(32)17-11-15-6-4-5-7-16(15)12-18(17)24(29)33/h4-7,11-12,14,19-20,28H,8-10,13H2,1-3H3,(H,26,30)(H,27,31)(H,34,35)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040589
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H33N3O5/c1-19(2)16-26(27(34)31-14-12-20-8-4-3-5-9-20)32-25(30(37)38)13-15-33-28(35)23-17-21-10-6-7-11-22(21)18-24(23)29(33)36/h3-11,17-19,25-26,32H,12-16H2,1-2H3,(H,31,34)(H,37,38)/t25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040581
((R)-2-((S)-1-Dimethylcarbamoyl-3-methyl-butylamino...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)N(C)C Show InChI InChI=1S/C24H29N3O5/c1-14(2)11-20(23(30)26(3)4)25-19(24(31)32)9-10-27-21(28)17-12-15-7-5-6-8-16(15)13-18(17)22(27)29/h5-8,12-14,19-20,25H,9-11H2,1-4H3,(H,31,32)/t19-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040584
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C23H27N3O5/c1-13(2)10-19(20(27)24-3)25-18(23(30)31)8-9-26-21(28)16-11-14-6-4-5-7-15(14)12-17(16)22(26)29/h4-7,11-13,18-19,25H,8-10H2,1-3H3,(H,24,27)(H,30,31)/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50040598
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C28H29N3O5/c1-17(2)14-24(25(32)29-20-10-4-3-5-11-20)30-23(28(35)36)12-13-31-26(33)21-15-18-8-6-7-9-19(18)16-22(21)27(31)34/h3-11,15-17,23-24,30H,12-14H2,1-2H3,(H,29,32)(H,35,36)/t23-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Incorporated Research Institute
Curated by ChEMBL
| Assay Description
Activity against human stromelysin (MMP-3). |
J Med Chem 37: 674-88 (1994)
BindingDB Entry DOI: 10.7270/Q2RV0MRC |
More data for this
Ligand-Target Pair | |
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