Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50029744 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 |
|---|
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104969
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287496
(CHEMBL48226 | N*4*-Hydroxy-N*1*-[(S)-2-(4-methoxy-...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(CC(=O)NO)c1ccccc1 Show InChI InChI=1S/C21H25N3O5/c1-22-21(27)18(12-14-8-10-16(29-2)11-9-14)23-20(26)17(13-19(25)24-28)15-6-4-3-5-7-15/h3-11,17-18,28H,12-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)/t17?,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287491
(CHEMBL295392 | Inhibitors of MMP-1: An examination...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCCCC1 Show InChI InChI=1S/C20H29N3O5/c1-21-18(25)16(12-14-6-8-15(28-2)9-7-14)22-19(26)20(13-17(24)23-27)10-4-3-5-11-20/h6-9,16,27H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287493
(CHEMBL296142 | N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(C)(CC(C)C)CC(=O)NO Show InChI InChI=1S/C20H31N3O5/c1-13(2)11-20(3,12-17(24)23-27)19(26)22-16(18(25)21-4)10-14-6-8-15(28-5)9-7-14/h6-9,13,16,27H,10-12H2,1-5H3,(H,21,25)(H,22,26)(H,23,24)/t16-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287494
(2-Hydroxycarbamoylmethyl-indan-2-carboxylic acid [...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)Cc2ccccc2C1 Show InChI InChI=1S/C23H27N3O5/c1-24-21(28)19(11-15-7-9-18(31-2)10-8-15)25-22(29)23(14-20(27)26-30)12-16-5-3-4-6-17(16)13-23/h3-10,19,30H,11-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287487
(1-Hydroxycarbamoylmethyl-1,2,3,4-tetrahydro-naphth...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCCc2ccccc12 Show InChI InChI=1S/C24H29N3O5/c1-25-22(29)20(14-16-9-11-18(32-2)12-10-16)26-23(30)24(15-21(28)27-31)13-5-7-17-6-3-4-8-19(17)24/h3-4,6,8-12,20,31H,5,7,13-15H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)/t20-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287489
(7-Hydroxycarbamoylmethyl-bicyclo[4.2.0]octa-1(6),2...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)Cc2ccccc12 Show InChI InChI=1S/C22H25N3O5/c1-23-20(27)18(11-14-7-9-16(30-2)10-8-14)24-21(28)22(13-19(26)25-29)12-15-5-3-4-6-17(15)22/h3-10,18,29H,11-13H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t18-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287489
(7-Hydroxycarbamoylmethyl-bicyclo[4.2.0]octa-1(6),2...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)Cc2ccccc12 Show InChI InChI=1S/C22H25N3O5/c1-23-20(27)18(11-14-7-9-16(30-2)10-8-14)24-21(28)22(13-19(26)25-29)12-15-5-3-4-6-17(15)22/h3-10,18,29H,11-13H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t18-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287490
(1-Hydroxycarbamoylmethyl-cyclopentanecarboxylic ac...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCCC1 Show InChI InChI=1S/C19H27N3O5/c1-20-17(24)15(11-13-5-7-14(27-2)8-6-13)21-18(25)19(9-3-4-10-19)12-16(23)22-26/h5-8,15,26H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287488
(CHEMBL46030 | N*4*-Hydroxy-N*1*-[(S)-2-(4-methoxy-...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C(C)(CC(=O)NO)c1ccccc1 Show InChI InChI=1S/C22H27N3O5/c1-22(14-19(26)25-29,16-7-5-4-6-8-16)21(28)24-18(20(27)23-2)13-15-9-11-17(30-3)12-10-15/h4-12,18,29H,13-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)/t18-,22?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287492
((S)-1-Hydroxycarbamoylmethyl-indan-1-carboxylic ac...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@]1(CC(=O)NO)CCc2ccccc12 Show InChI InChI=1S/C23H27N3O5/c1-24-21(28)19(13-15-7-9-17(31-2)10-8-15)25-22(29)23(14-20(27)26-30)12-11-16-5-3-4-6-18(16)23/h3-10,19,30H,11-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t19-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50287495
((R)-1-Hydroxycarbamoylmethyl-indan-1-carboxylic ac...)Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@]1(CC(=O)NO)CCc2ccccc12 Show InChI InChI=1S/C23H27N3O5/c1-24-21(28)19(13-15-7-9-17(31-2)10-8-15)25-22(29)23(14-20(27)26-30)12-11-16-5-3-4-6-18(16)23/h3-10,19,30H,11-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)/t19-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1) |
Bioorg Med Chem Lett 6: 1719-1724 (1996)
Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0 |
More data for this
Ligand-Target Pair | |
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