new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50012584   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ADAM17


(Sus scrofa (pig))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
PubMed
0.560n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Tumor necrosis factor alpha converting enzyme (TACE)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50120691
PNG
((R)-N-hydroxy-2-((S)-3-methyl-2-oxo-3-(4-phenoxyph...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120691
PNG
((R)-N-hydroxy-2-((S)-3-methyl-2-oxo-3-(4-phenoxyph...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120688
PNG
(CHEMBL146896 | N-Hydroxy-2-[3-(4-methoxy-phenyl)-3...)
Show SMILES COc1ccc(cc1)[C@]1(C)CCN([C@H](C)C(=O)NO)C1=O
Show InChI InChI=1S/C15H20N2O4/c1-10(13(18)16-20)17-9-8-15(2,14(17)19)11-4-6-12(21-3)7-5-11/h4-7,10,20H,8-9H2,1-3H3,(H,16,18)/t10-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120688
PNG
(CHEMBL146896 | N-Hydroxy-2-[3-(4-methoxy-phenyl)-3...)
Show SMILES COc1ccc(cc1)[C@]1(C)CCN([C@H](C)C(=O)NO)C1=O
Show InChI InChI=1S/C15H20N2O4/c1-10(13(18)16-20)17-9-8-15(2,14(17)19)11-4-6-12(21-3)7-5-11/h4-7,10,20H,8-9H2,1-3H3,(H,16,18)/t10-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120693
PNG
(CHEMBL359251 | N-Hydroxy-2-{3-methyl-3-[4-(4-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-5-9-18(10-6-16)30-13-15-3-7-17(8-4-15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120696
PNG
((R)-2-((S)-3-(4-(benzyloxy)phenyl)-3-methyl-2-oxop...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C21H24N2O4/c1-15(19(24)22-26)23-13-12-21(2,20(23)25)17-8-10-18(11-9-17)27-14-16-6-4-3-5-7-16/h3-11,15,26H,12-14H2,1-2H3,(H,22,24)/t15-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120696
PNG
((R)-2-((S)-3-(4-(benzyloxy)phenyl)-3-methyl-2-oxop...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C21H24N2O4/c1-15(19(24)22-26)23-13-12-21(2,20(23)25)17-8-10-18(11-9-17)27-14-16-6-4-3-5-7-16/h3-11,15,26H,12-14H2,1-2H3,(H,22,24)/t15-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120687
PNG
(CHEMBL144081 | N-Hydroxy-2-{3-methyl-3-[4-(2-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-7-9-17(10-8-16)30-13-15-5-3-4-6-18(15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120690
PNG
(CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
38n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120690
PNG
(CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
39n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120693
PNG
(CHEMBL359251 | N-Hydroxy-2-{3-methyl-3-[4-(4-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-5-9-18(10-6-16)30-13-15-3-7-17(8-4-15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120687
PNG
(CHEMBL144081 | N-Hydroxy-2-{3-methyl-3-[4-(2-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-7-9-17(10-8-16)30-13-15-5-3-4-6-18(15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
66n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120688
PNG
(CHEMBL146896 | N-Hydroxy-2-[3-(4-methoxy-phenyl)-3...)
Show SMILES COc1ccc(cc1)[C@]1(C)CCN([C@H](C)C(=O)NO)C1=O
Show InChI InChI=1S/C15H20N2O4/c1-10(13(18)16-20)17-9-8-15(2,14(17)19)11-4-6-12(21-3)7-5-11/h4-7,10,20H,8-9H2,1-3H3,(H,16,18)/t10-,15+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
92n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
108n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
141n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-3 (MMP-3)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120691
PNG
((R)-N-hydroxy-2-((S)-3-methyl-2-oxo-3-(4-phenoxyph...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)15-8-10-17(11-9-15)26-16-6-4-3-5-7-16/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
143n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
221n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120694
PNG
(CHEMBL356975 | N-Hydroxy-2-(3-methyl-2-oxo-3-pheny...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-10(12(17)15-19)16-9-8-14(2,13(16)18)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,15,17)/t10-,14+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
242n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
257n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-8 (MMP-8)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
259n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-7 (MMP-7)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120685
PNG
(2-[3-(4-Allyloxy-phenyl)-3-methyl-2-oxo-pyrrolidin...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCC=C)cc1)C(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-4-11-23-14-7-5-13(6-8-14)17(3)9-10-19(16(17)21)12(2)15(20)18-22/h4-8,12,22H,1,9-11H2,2-3H3,(H,18,20)/t12-,17+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
335n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120686
PNG
((R)-N-hydroxy-2-((S)-3-(4-isobutylphenyl)-3-methyl...)
Show SMILES CC(C)Cc1ccc(cc1)[C@]1(C)CCN([C@H](C)C(=O)NO)C1=O |r|
Show InChI InChI=1S/C18H26N2O3/c1-12(2)11-14-5-7-15(8-6-14)18(4)9-10-20(17(18)22)13(3)16(21)19-23/h5-8,12-13,23H,9-11H2,1-4H3,(H,19,21)/t13-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
586n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120686
PNG
((R)-N-hydroxy-2-((S)-3-(4-isobutylphenyl)-3-methyl...)
Show SMILES CC(C)Cc1ccc(cc1)[C@]1(C)CCN([C@H](C)C(=O)NO)C1=O |r|
Show InChI InChI=1S/C18H26N2O3/c1-12(2)11-14-5-7-15(8-6-14)18(4)9-10-20(17(18)22)13(3)16(21)19-23/h5-8,12-13,23H,9-11H2,1-4H3,(H,19,21)/t13-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
701n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.42E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-13 (MMP-13)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-16 (MMP-16)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120692
PNG
(2-{3-[4-(3,5-Dimethyl-benzyloxy)-phenyl]-3-methyl-...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)cc(C)c2)cc1)C(=O)NO
Show InChI InChI=1S/C23H28N2O4/c1-15-11-16(2)13-18(12-15)14-29-20-7-5-19(6-8-20)23(4)9-10-25(22(23)27)17(3)21(26)24-28/h5-8,11-13,17,28H,9-10,14H2,1-4H3,(H,24,26)/t17-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.63E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120695
PNG
(2-{3-[4-(3,5-Dimethoxy-benzyloxy)-phenyl]-3-methyl...)
Show SMILES COc1cc(COc2ccc(cc2)[C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc(OC)c1
Show InChI InChI=1S/C23H28N2O6/c1-15(21(26)24-28)25-10-9-23(2,22(25)27)17-5-7-18(8-6-17)31-14-16-11-19(29-3)13-20(12-16)30-4/h5-8,11-13,15,28H,9-10,14H2,1-4H3,(H,24,26)/t15-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120689
PNG
((R)-2-((S)-3-(4-(3,5-bis(trifluoromethyl)benzyloxy...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)NO |r|
Show InChI InChI=1S/C23H22F6N2O4/c1-13(19(32)30-34)31-8-7-21(2,20(31)33)15-3-5-18(6-4-15)35-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h3-6,9-11,13,34H,7-8,12H2,1-2H3,(H,30,32)/t13-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
2.05E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.29E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120695
PNG
(2-{3-[4-(3,5-Dimethoxy-benzyloxy)-phenyl]-3-methyl...)
Show SMILES COc1cc(COc2ccc(cc2)[C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc(OC)c1
Show InChI InChI=1S/C23H28N2O6/c1-15(21(26)24-28)25-10-9-23(2,22(25)27)17-5-7-18(8-6-17)31-14-16-11-19(29-3)13-20(12-16)30-4/h5-8,11-13,15,28H,9-10,14H2,1-4H3,(H,24,26)/t15-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120689
PNG
((R)-2-((S)-3-(4-(3,5-bis(trifluoromethyl)benzyloxy...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)NO |r|
Show InChI InChI=1S/C23H22F6N2O4/c1-13(19(32)30-34)31-8-7-21(2,20(31)33)15-3-5-18(6-4-15)35-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h3-6,9-11,13,34H,7-8,12H2,1-2H3,(H,30,32)/t13-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-15 (MMP-15)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120686
PNG
((R)-N-hydroxy-2-((S)-3-(4-isobutylphenyl)-3-methyl...)
Show SMILES CC(C)Cc1ccc(cc1)[C@]1(C)CCN([C@H](C)C(=O)NO)C1=O |r|
Show InChI InChI=1S/C18H26N2O3/c1-12(2)11-14-5-7-15(8-6-14)18(4)9-10-20(17(18)22)13(3)16(21)19-23/h5-8,12-13,23H,9-11H2,1-4H3,(H,19,21)/t13-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120692
PNG
(2-{3-[4-(3,5-Dimethyl-benzyloxy)-phenyl]-3-methyl-...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)cc(C)c2)cc1)C(=O)NO
Show InChI InChI=1S/C23H28N2O4/c1-15-11-16(2)13-18(12-15)14-29-20-7-5-19(6-8-20)23(4)9-10-25(22(23)27)17(3)21(26)24-28/h5-8,11-13,17,28H,9-10,14H2,1-4H3,(H,24,26)/t17-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
4.75E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120689
PNG
((R)-2-((S)-3-(4-(3,5-bis(trifluoromethyl)benzyloxy...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)NO |r|
Show InChI InChI=1S/C23H22F6N2O4/c1-13(19(32)30-34)31-8-7-21(2,20(31)33)15-3-5-18(6-4-15)35-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29/h3-6,9-11,13,34H,7-8,12H2,1-2H3,(H,30,32)/t13-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120696
PNG
((R)-2-((S)-3-(4-(benzyloxy)phenyl)-3-methyl-2-oxop...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C21H24N2O4/c1-15(19(24)22-26)23-13-12-21(2,20(23)25)17-8-10-18(11-9-17)27-14-16-6-4-3-5-7-16/h3-11,15,26H,12-14H2,1-2H3,(H,22,24)/t15-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120687
PNG
(CHEMBL144081 | N-Hydroxy-2-{3-methyl-3-[4-(2-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-7-9-17(10-8-16)30-13-15-5-3-4-6-18(15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120695
PNG
(2-{3-[4-(3,5-Dimethoxy-benzyloxy)-phenyl]-3-methyl...)
Show SMILES COc1cc(COc2ccc(cc2)[C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc(OC)c1
Show InChI InChI=1S/C23H28N2O6/c1-15(21(26)24-28)25-10-9-23(2,22(25)27)17-5-7-18(8-6-17)31-14-16-11-19(29-3)13-20(12-16)30-4/h5-8,11-13,15,28H,9-10,14H2,1-4H3,(H,24,26)/t15-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120693
PNG
(CHEMBL359251 | N-Hydroxy-2-{3-methyl-3-[4-(4-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-12-11-21(2,20(23)26)16-5-9-18(10-6-16)30-13-15-3-7-17(8-4-15)24(28)29/h3-10,14,27H,11-13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50120690
PNG
(CHEMBL343216 | N-Hydroxy-2-{3-methyl-3-[4-(3-nitro...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(=O)NO
Show InChI InChI=1S/C21H23N3O6/c1-14(19(25)22-27)23-11-10-21(2,20(23)26)16-6-8-18(9-7-16)30-13-15-4-3-5-17(12-15)24(28)29/h3-9,12,14,27H,10-11,13H2,1-2H3,(H,22,25)/t14-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50120692
PNG
(2-{3-[4-(3,5-Dimethyl-benzyloxy)-phenyl]-3-methyl-...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)cc(C)c2)cc1)C(=O)NO
Show InChI InChI=1S/C23H28N2O4/c1-15-11-16(2)13-18(12-15)14-29-20-7-5-19(6-8-20)23(4)9-10-25(22(23)27)17(3)21(26)24-28/h5-8,11-13,17,28H,9-10,14H2,1-4H3,(H,24,26)/t17-,23+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5.81E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.03E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
1.59E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-14 (MMP-14)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
3.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 73 total )  |  Next  |  Last  >>
Jump to: