Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50011530 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107571
((R)-2-Biphenyl-4-ylmethyl-N*4*-hydroxy-N*1*-((1S,2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H26N2O4/c29-23-15-20-8-4-5-9-22(20)25(23)27-26(31)21(16-24(30)28-32)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,21,23,25,29,32H,14-16H2,(H,27,31)(H,28,30)/t21-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107583
((R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)/t20-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107575
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25N3O6/c30-23-14-19-4-1-2-7-22(19)25(23)27-26(32)20(15-24(31)28-33)12-16-8-10-17(11-9-16)18-5-3-6-21(13-18)29(34)35/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,27,32)(H,28,31)/t20-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107581
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES COc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c1-34-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(31)29-33)27(32)28-26-23-8-3-2-5-20(23)15-24(26)30/h2-12,14,21,24,26,30,33H,13,15-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107583
((R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)/t20-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107572
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O4/c1-17-6-2-4-8-22(17)19-12-10-18(11-13-19)14-21(16-25(31)29-33)27(32)28-26-23-9-5-3-7-20(23)15-24(26)30/h2-13,21,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107581
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES COc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c1-34-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(31)29-33)27(32)28-26-23-8-3-2-5-20(23)15-24(26)30/h2-12,14,21,24,26,30,33H,13,15-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| <2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107572
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O4/c1-17-6-2-4-8-22(17)19-12-10-18(11-13-19)14-21(16-25(31)29-33)27(32)28-26-23-9-5-3-7-20(23)15-24(26)30/h2-13,21,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107574
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES COc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c1-34-24-9-5-4-7-21(24)18-12-10-17(11-13-18)14-20(16-25(31)29-33)27(32)28-26-22-8-3-2-6-19(22)15-23(26)30/h2-13,20,23,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t20-,23-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107571
((R)-2-Biphenyl-4-ylmethyl-N*4*-hydroxy-N*1*-((1S,2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H26N2O4/c29-23-15-20-8-4-5-9-22(20)25(23)27-26(31)21(16-24(30)28-32)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,21,23,25,29,32H,14-16H2,(H,27,31)(H,28,30)/t21-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107575
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25N3O6/c30-23-14-19-4-1-2-7-22(19)25(23)27-26(32)20(15-24(31)28-33)12-16-8-10-17(11-9-16)18-5-3-6-21(13-18)29(34)35/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,27,32)(H,28,31)/t20-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107577
((R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25ClN2O4/c27-22-8-4-3-6-20(22)17-11-9-16(10-12-17)13-19(15-24(31)29-33)26(32)28-25-21-7-2-1-5-18(21)14-23(25)30/h1-12,19,23,25,30,33H,13-15H2,(H,28,32)(H,29,31)/t19-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107579
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O6S/c1-37(35,36)30-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(32)29-34)27(33)28-26-23-8-3-2-5-20(23)15-24(26)31/h2-12,14,21,24,26,30-31,34H,13,15-16H2,1H3,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107576
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES Cc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O4/c1-17-5-4-7-20(13-17)19-11-9-18(10-12-19)14-22(16-25(31)29-33)27(32)28-26-23-8-3-2-6-21(23)15-24(26)30/h2-13,22,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t22-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107573
((2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydro...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107580
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES CC(C)c1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C29H32N2O4/c1-18(2)21-7-5-8-22(15-21)20-12-10-19(11-13-20)14-24(17-27(33)31-35)29(34)30-28-25-9-4-3-6-23(25)16-26(28)32/h3-13,15,18,24,26,28,32,35H,14,16-17H2,1-2H3,(H,30,34)(H,31,33)/t24-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107580
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES CC(C)c1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C29H32N2O4/c1-18(2)21-7-5-8-22(15-21)20-12-10-19(11-13-20)14-24(17-27(33)31-35)29(34)30-28-25-9-4-3-6-23(25)16-26(28)32/h3-13,15,18,24,26,28,32,35H,14,16-17H2,1-2H3,(H,30,34)(H,31,33)/t24-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107577
((R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25ClN2O4/c27-22-8-4-3-6-20(22)17-11-9-16(10-12-17)13-19(15-24(31)29-33)26(32)28-25-21-7-2-1-5-18(21)14-23(25)30/h1-12,19,23,25,30,33H,13-15H2,(H,28,32)(H,29,31)/t19-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107582
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N6O4/c34-23-14-18-5-1-2-7-21(18)25(23)28-27(36)19(15-24(35)31-37)13-16-9-11-17(12-10-16)20-6-3-4-8-22(20)26-29-32-33-30-26/h1-12,19,23,25,34,37H,13-15H2,(H,28,36)(H,31,35)(H,29,30,32,33)/t19-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107573
((2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydro...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107574
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES COc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c1-34-24-9-5-4-7-21(24)18-12-10-17(11-13-18)14-20(16-25(31)29-33)27(32)28-26-22-8-3-2-6-19(22)15-23(26)30/h2-13,20,23,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t20-,23-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107578
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES OCc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c30-16-20-6-2-3-7-22(20)18-11-9-17(10-12-18)13-21(15-25(32)29-34)27(33)28-26-23-8-4-1-5-19(23)14-24(26)31/h1-12,21,24,26,30-31,34H,13-16H2,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107579
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O6S/c1-37(35,36)30-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(32)29-34)27(33)28-26-23-8-3-2-5-20(23)15-24(26)31/h2-12,14,21,24,26,30-31,34H,13,15-16H2,1H3,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 691 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107576
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES Cc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O4/c1-17-5-4-7-20(13-17)19-11-9-18(10-12-19)14-22(16-25(31)29-33)27(32)28-26-23-8-3-2-6-21(23)15-24(26)30/h2-13,22,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t22-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107582
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N6O4/c34-23-14-18-5-1-2-7-21(18)25(23)28-27(36)19(15-24(35)31-37)13-16-9-11-17(12-10-16)20-6-3-4-8-22(20)26-29-32-33-30-26/h1-12,19,23,25,34,37H,13-15H2,(H,28,36)(H,31,35)(H,29,30,32,33)/t19-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107583
((R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)/t20-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107575
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25N3O6/c30-23-14-19-4-1-2-7-22(19)25(23)27-26(32)20(15-24(31)28-33)12-16-8-10-17(11-9-16)18-5-3-6-21(13-18)29(34)35/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,27,32)(H,28,31)/t20-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107578
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES OCc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c30-16-20-6-2-3-7-22(20)18-11-9-17(10-12-18)13-21(15-25(32)29-34)27(33)28-26-23-8-4-1-5-19(23)14-24(26)31/h1-12,21,24,26,30-31,34H,13-16H2,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50107584
((R)-2-(2'-Butylsulfamoyl-biphenyl-4-ylmethyl)-N*4*...)Show SMILES CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C30H35N3O6S/c1-2-3-16-31-40(38,39)27-11-7-6-9-24(27)21-14-12-20(13-15-21)17-23(19-28(35)33-37)30(36)32-29-25-10-5-4-8-22(25)18-26(29)34/h4-15,23,26,29,31,34,37H,2-3,16-19H2,1H3,(H,32,36)(H,33,35)/t23-,26-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase A (MMP-2) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50107584
((R)-2-(2'-Butylsulfamoyl-biphenyl-4-ylmethyl)-N*4*...)Show SMILES CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C30H35N3O6S/c1-2-3-16-31-40(38,39)27-11-7-6-9-24(27)21-14-12-20(13-15-21)17-23(19-28(35)33-37)30(36)32-29-25-10-5-4-8-22(25)18-26(29)34/h4-15,23,26,29,31,34,37H,2-3,16-19H2,1H3,(H,32,36)(H,33,35)/t23-,26-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for human gelatinase B (MMP-9) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107572
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O4/c1-17-6-2-4-8-22(17)19-12-10-18(11-13-19)14-21(16-25(31)29-33)27(32)28-26-23-9-5-3-7-20(23)15-24(26)30/h2-13,21,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107584
((R)-2-(2'-Butylsulfamoyl-biphenyl-4-ylmethyl)-N*4*...)Show SMILES CCCCNS(=O)(=O)c1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C30H35N3O6S/c1-2-3-16-31-40(38,39)27-11-7-6-9-24(27)21-14-12-20(13-15-21)17-23(19-28(35)33-37)30(36)32-29-25-10-5-4-8-22(25)18-26(29)34/h4-15,23,26,29,31,34,37H,2-3,16-19H2,1H3,(H,32,36)(H,33,35)/t23-,26-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107577
((R)-2-(2'-Chloro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1Cl)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H25ClN2O4/c27-22-8-4-3-6-20(22)17-11-9-16(10-12-17)13-19(15-24(31)29-33)26(32)28-25-21-7-2-1-5-18(21)14-23(25)30/h1-12,19,23,25,30,33H,13-15H2,(H,28,32)(H,29,31)/t19-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107581
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES COc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c1-34-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(31)29-33)27(32)28-26-23-8-3-2-5-20(23)15-24(26)30/h2-12,14,21,24,26,30,33H,13,15-16H2,1H3,(H,28,32)(H,29,31)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107578
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES OCc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c30-16-20-6-2-3-7-22(20)18-11-9-17(10-12-18)13-21(15-25(32)29-34)27(33)28-26-23-8-4-1-5-19(23)14-24(26)31/h1-12,21,24,26,30-31,34H,13-16H2,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107571
((R)-2-Biphenyl-4-ylmethyl-N*4*-hydroxy-N*1*-((1S,2...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C26H26N2O4/c29-23-15-20-8-4-5-9-22(20)25(23)27-26(31)21(16-24(30)28-32)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,21,23,25,29,32H,14-16H2,(H,27,31)(H,28,30)/t21-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107582
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N6O4/c34-23-14-18-5-1-2-7-21(18)25(23)28-27(36)19(15-24(35)31-37)13-16-9-11-17(12-10-16)20-6-3-4-8-22(20)26-29-32-33-30-26/h1-12,19,23,25,34,37H,13-15H2,(H,28,36)(H,31,35)(H,29,30,32,33)/t19-,23-,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107580
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES CC(C)c1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C29H32N2O4/c1-18(2)21-7-5-8-22(15-21)20-12-10-19(11-13-20)14-24(17-27(33)31-35)29(34)30-28-25-9-4-3-6-23(25)16-26(28)32/h3-13,15,18,24,26,28,32,35H,14,16-17H2,1-2H3,(H,30,34)(H,31,33)/t24-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107579
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O6S/c1-37(35,36)30-22-7-4-6-19(14-22)18-11-9-17(10-12-18)13-21(16-25(32)29-34)27(33)28-26-23-8-3-2-5-20(23)15-24(26)31/h2-12,14,21,24,26,30-31,34H,13,15-16H2,1H3,(H,28,33)(H,29,32)/t21-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107574
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES COc1ccccc1-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O5/c1-34-24-9-5-4-7-21(24)18-12-10-17(11-13-18)14-20(16-25(31)29-33)27(32)28-26-22-8-3-2-6-19(22)15-23(26)30/h2-13,20,23,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t20-,23-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107576
((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...)Show SMILES Cc1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C27H28N2O4/c1-17-5-4-7-20(13-17)19-11-9-18(10-12-19)14-22(16-25(31)29-33)27(32)28-26-23-8-3-2-6-21(23)15-24(26)30/h2-13,22,24,26,30,33H,14-16H2,1H3,(H,28,32)(H,29,31)/t22-,24-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50107573
((2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydro...)Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C27H26N2O6/c30-22-12-19-3-1-2-4-21(19)26(22)28-27(32)20(14-25(31)29-33)11-16-5-7-17(8-6-16)18-9-10-23-24(13-18)35-15-34-23/h1-10,13,20,22,26,30,33H,11-12,14-15H2,(H,28,32)(H,29,31)/t20-,22-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50104965
((2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R...)Show SMILES ONC(=O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharma Company
Curated by ChEMBL
| Assay Description
Binding affinity for neutrophil collagenase (MMP-1) |
Bioorg Med Chem Lett 12: 101-4 (2001)
BindingDB Entry DOI: 10.7270/Q2R49Q1C |
More data for this
Ligand-Target Pair | |
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