Found 831 hits with Last Name = 'wahl' and Initial = 'rc' 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)) | BDBM50031790
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286335
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(3-...)Show SMILES CSCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C23H34N4O4S/c1-15(2)11-16(13-21(28)27-31)22(29)26-20(23(30)24-9-6-10-32-3)12-17-14-25-19-8-5-4-7-18(17)19/h4-5,7-8,14-16,20,25,31H,6,9-13H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)/t16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286344
(5-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC(O)=O Show InChI InChI=1S/C24H34N4O6/c1-15(2)11-16(13-21(29)28-34)23(32)27-20(24(33)25-10-6-5-9-22(30)31)12-17-14-26-19-8-4-3-7-18(17)19/h3-4,7-8,14-16,20,26,34H,5-6,9-13H2,1-2H3,(H,25,33)(H,27,32)(H,28,29)(H,30,31)/t16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343205
(CHEMBL1773606 | N-(6-(6-Chloro-5-(2-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-15-7-6-12(9-17(15)33-20)13-8-16(19(22)26-10-13)29-34(31,32)18-5-3-2-4-14(18)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343206
(CHEMBL1773728 | N-(6-(6-Chloro-5-(3-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-6-5-12(8-18(16)33-20)13-7-17(19(22)26-10-13)29-34(31,32)15-4-2-3-14(9-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343207
(CHEMBL1773729 | N-(6-(6-Chloro-5-(4-(trifluorometh...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C21H14ClF3N4O3S2/c1-11(30)27-20-28-16-7-2-12(9-18(16)33-20)13-8-17(19(22)26-10-13)29-34(31,32)15-5-3-14(4-6-15)21(23,24)25/h2-10,29H,1H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343208
(CHEMBL1773730 | N-(6-(6-Chloro-5-(2-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(22)23-10-13)26-31(28,29)18-5-3-2-4-14(18)21/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343209
(CHEMBL1773731 | N-(6-(6-Chloro-5-(3-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(22)23-10-13)26-31(28,29)15-4-2-3-14(21)9-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343212
(CHEMBL1773734 | N-(6-(6-Chloro-5-(4-tert-butylphen...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1 Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-10-5-15(12-21(19)33-23)16-11-20(22(25)26-13-16)29-34(31,32)18-8-6-17(7-9-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343213
(CHEMBL1773735 | N-(6-(6-Chloro-5-(2-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2F)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-15-7-6-12(9-17(15)30-20)13-8-16(19(21)23-10-13)26-31(28,29)18-5-3-2-4-14(18)22/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343203
(CHEMBL1773604 | N-(6-(6-Chloro-5-(4-methoxyphenyls...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C21H17ClN4O4S2/c1-12(27)24-21-25-17-8-3-13(10-19(17)31-21)14-9-18(20(22)23-11-14)26-32(28,29)16-6-4-15(30-2)5-7-16/h3-11,26H,1-2H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343210
(CHEMBL1773732 | N-(6-(6-Chloro-5-(4-chlorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C20H14Cl2N4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(22)23-10-13)26-31(28,29)15-5-3-14(21)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031783
((R)-2-(3-(benzyloxy)propyl)-N4-hydroxy-N1-((S)-1-(...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(15-18-9-4-2-5-10-18)26-23(29)20(16-22(28)27-31)13-8-14-32-17-19-11-6-3-7-12-19/h2-7,9-12,20-21,31H,8,13-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 343-348 (1995)
Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031795
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343211
(CHEMBL1773733 | N-(6-(5-(3-tert-Butylphenylsulfona...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(c2)C(C)(C)C)c1 Show InChI InChI=1S/C24H23ClN4O3S2/c1-14(30)27-23-28-19-9-8-15(11-21(19)33-23)16-10-20(22(25)26-13-16)29-34(31,32)18-7-5-6-17(12-18)24(2,3)4/h5-13,29H,1-4H3,(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343214
(CHEMBL1773736 | N-(6-(6-Chloro-5-(3-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-6-5-12(8-18(16)30-20)13-7-17(19(21)23-10-13)26-31(28,29)15-4-2-3-14(22)9-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
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Reactome pathway
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50031784
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| Article
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
MMDB
NCI pathway
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| Purchase
CHEMBL
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kdelta expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343202
(CHEMBL1773603 | N-(6-(5-(4-Methoxyphenylsulfonamid...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C22H20N4O4S2/c1-13-20(26-32(28,29)18-7-5-17(30-3)6-8-18)10-16(12-23-13)15-4-9-19-21(11-15)31-22(25-19)24-14(2)27/h4-12,26H,1-3H3,(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50286354
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C26H35N3O4/c1-27-26(32)23(18-21-15-9-5-10-16-21)28-25(31)22(19-24(30)29-33)17-11-3-2-6-12-20-13-7-4-8-14-20/h4-5,7-10,13-16,22-23,33H,2-3,6,11-12,17-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1 | PDB
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UniChem
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50031795
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343201
(CHEMBL1773602 | N-(6-(6-Cyano-5-(4-methoxyphenylsu...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1C#N)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C22H17N5O4S2/c1-13(28)25-22-26-18-8-3-14(10-21(18)32-22)15-9-19(20(11-23)24-12-15)27-33(29,30)17-6-4-16(31-2)5-7-17/h3-10,12,27H,1-2H3,(H,25,26,28) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343204
(CHEMBL1773605 | N-(6-(6-Chloro-5-(phenylsulfonamid...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H15ClN4O3S2/c1-12(26)23-20-24-16-8-7-13(10-18(16)29-20)14-9-17(19(21)22-11-14)25-30(27,28)15-5-3-2-4-6-15/h2-11,25H,1H3,(H,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50343197
(CHEMBL1773599 | N-(6-(5-(4-Methoxyphenylsulfonamid...)Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cncc(c1)-c1ccc2nc(NC(C)=O)sc2c1 Show InChI InChI=1S/C21H18N4O4S2/c1-13(26)23-21-24-19-8-3-14(10-20(19)30-21)15-9-16(12-22-11-15)25-31(27,28)18-6-4-17(29-2)5-7-18/h3-12,25H,1-2H3,(H,23,24,26) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kalpha expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286334
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[5-...)Show SMILES COc1ccc(cc1)C(=O)CCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C31H40N4O6/c1-20(2)16-22(18-29(37)35-40)30(38)34-27(17-23-19-33-26-9-5-4-8-25(23)26)31(39)32-15-7-6-10-28(36)21-11-13-24(41-3)14-12-21/h4-5,8-9,11-14,19-20,22,27,33,40H,6-7,10,15-18H2,1-3H3,(H,32,39)(H,34,38)(H,35,37)/t22-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
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UniChem
Similars
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
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| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286337
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)=O Show InChI InChI=1S/C22H32N4O5S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-32(3)31)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+,32?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286340
((R)-N*1*-[(S)-1-(4-Benzyloxy-butylcarbamoyl)-2-(1H...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCOCc1ccccc1 Show InChI InChI=1S/C30H40N4O5/c1-21(2)16-23(18-28(35)34-38)29(36)33-27(17-24-19-32-26-13-7-6-12-25(24)26)30(37)31-14-8-9-15-39-20-22-10-4-3-5-11-22/h3-7,10-13,19,21,23,27,32,38H,8-9,14-18,20H2,1-2H3,(H,31,37)(H,33,36)(H,34,35)/t23-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031784
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 343-348 (1995)
Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031790
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 343-348 (1995)
Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50343200
(CHEMBL1615189 | N-(6-(6-Chloro-5-(4-fluorophenylsu...)Show SMILES CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27) | PDB
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PI3Kbeta expressed in Sf9 cells |
J Med Chem 54: 1789-811 (2011)
Article DOI: 10.1021/jm1014605
BindingDB Entry DOI: 10.7270/Q2TH8N1K |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50286354
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C26H35N3O4/c1-27-26(32)23(18-21-15-9-5-10-16-21)28-25(31)22(19-24(30)29-33)17-11-3-2-6-12-20-13-7-4-8-14-20/h4-5,7-10,13-16,22-23,33H,2-3,6,11-12,17-19H2,1H3,(H,27,32)(H,28,31)(H,29,30)/t22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031784
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C24H31N3O5/c1-25-24(30)21(16-18-10-4-2-5-11-18)26-23(29)19(17-22(28)27-31)12-8-9-15-32-20-13-6-3-7-14-20/h2-7,10-11,13-14,19,21,31H,8-9,12,15-17H2,1H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031778
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031772
((R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamo...)Show SMILES CCCNC(=O)CCC[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Show InChI InChI=1S/C21H32N4O5/c1-3-12-23-18(26)11-7-10-16(14-19(27)25-30)20(28)24-17(21(29)22-2)13-15-8-5-4-6-9-15/h4-6,8-9,16-17,30H,3,7,10-14H2,1-2H3,(H,22,29)(H,23,26)(H,24,28)(H,25,27)/t16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 343-348 (1995)
Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031795
((N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYL...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
DrugBank
MMDB
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PC sid
UniChem
Patents
Similars
| MMDB
Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of compound against human fibroblast stromelysin (HFS) was determined |
Bioorg Med Chem Lett 5: 343-348 (1995)
Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50062351
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031790
((R)-N*4*-Hydroxy-N*1*-((S)-1-methylcarbamoyl-2-phe...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(17-19-11-5-2-6-12-19)27-24(30)20(18-23(29)28-32)13-7-4-10-16-33-21-14-8-3-9-15-21/h2-3,5-6,8-9,11-12,14-15,20,22,32H,4,7,10,13,16-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| <2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286339
((R)-N*1*-[(S)-1-(2-Ethylsulfanyl-ethylcarbamoyl)-2...)Show SMILES CCSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C23H34N4O4S/c1-4-32-10-9-24-23(30)20(12-17-14-25-19-8-6-5-7-18(17)19)26-22(29)16(11-15(2)3)13-21(28)27-31/h5-8,14-16,20,25,31H,4,9-13H2,1-3H3,(H,24,30)(H,26,29)(H,27,28)/t16-,20+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286345
((R)-N*1*-[(S)-1-(4-Dimethylamino-butylcarbamoyl)-2...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCN(C)C Show InChI InChI=1S/C25H39N5O4/c1-17(2)13-18(15-23(31)29-34)24(32)28-22(25(33)26-11-7-8-12-30(3)4)14-19-16-27-21-10-6-5-9-20(19)21/h5-6,9-10,16-18,22,27,34H,7-8,11-15H2,1-4H3,(H,26,33)(H,28,32)(H,29,31)/t18-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286347
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSc1ccccc1 Show InChI InChI=1S/C27H34N4O4S/c1-18(2)14-19(16-25(32)31-35)26(33)30-24(15-20-17-29-23-11-7-6-10-22(20)23)27(34)28-12-13-36-21-8-4-3-5-9-21/h3-11,17-19,24,29,35H,12-16H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t19-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286349
((R)-N*1*-[(S)-1-(3-Dimethylamino-propylcarbamoyl)-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN(C)C Show InChI InChI=1S/C24H37N5O4/c1-16(2)12-17(14-22(30)28-33)23(31)27-21(24(32)25-10-7-11-29(3)4)13-18-15-26-20-9-6-5-8-19(18)20/h5-6,8-9,15-17,21,26,33H,7,10-14H2,1-4H3,(H,25,32)(H,27,31)(H,28,30)/t17-,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286350
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-(2-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(C)(=O)=O Show InChI InChI=1S/C22H32N4O6S/c1-14(2)10-15(12-20(27)26-30)21(28)25-19(22(29)23-8-9-33(3,31)32)11-16-13-24-18-7-5-4-6-17(16)18/h4-7,13-15,19,24,30H,8-12H2,1-3H3,(H,23,29)(H,25,28)(H,26,27)/t15-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50031778
((R)-2-(4-(benzyloxy)butyl)-N4-hydroxy-N1-((S)-1-(m...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO Show InChI InChI=1S/C25H33N3O5/c1-26-25(31)22(16-19-10-4-2-5-11-19)27-24(30)21(17-23(29)28-32)14-8-9-15-33-18-20-12-6-3-7-13-20/h2-7,10-13,21-22,32H,8-9,14-18H2,1H3,(H,26,31)(H,27,30)(H,28,29)/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50031770
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)Show SMILES CCCCCc1ccc(OCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 Show InChI InChI=1S/C26H43N3O5/c1-6-7-8-11-19-13-15-21(16-14-19)34-17-10-9-12-20(18-22(30)29-33)24(31)28-23(25(32)27-5)26(2,3)4/h13-16,20,23,33H,6-12,17-18H2,1-5H3,(H,27,32)(H,28,31)(H,29,30)/t20-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-9 |
Bioorg Med Chem Lett 5: 349-352 (1995)
Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50031788
((R)-N*4*-Hydroxy-2-(5-hydroxy-pentyl)-N*1*-((S)-1-...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-20-19(26)16(12-14-8-4-2-5-9-14)21-18(25)15(13-17(24)22-27)10-6-3-7-11-23/h2,4-5,8-9,15-16,23,27H,3,6-7,10-13H2,1H3,(H,20,26)(H,21,25)(H,22,24)/t15-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil collagenase, matrix metalloproteinase-8 |
Bioorg Med Chem Lett 5: 343-348 (1995)
Article DOI: 10.1016/0960-894X(95)00032-O
BindingDB Entry DOI: 10.7270/Q2JH3M44 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50286346
((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[2-...)Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSCCN1CCOCC1 Show InChI InChI=1S/C27H41N5O5S/c1-19(2)15-20(17-25(33)31-36)26(34)30-24(16-21-18-29-23-6-4-3-5-22(21)23)27(35)28-7-13-38-14-10-32-8-11-37-12-9-32/h3-6,18-20,24,29,36H,7-17H2,1-2H3,(H,28,35)(H,30,34)(H,31,33)/t20-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for inhibitory activity against Human fidroblast collagenase (HFC) |
Bioorg Med Chem Lett 5: 337-342 (1995)
Article DOI: 10.1016/0960-894X(95)00031-N
BindingDB Entry DOI: 10.7270/Q2P55NH1 |
More data for this
Ligand-Target Pair | |
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