Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50019304 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)) | BDBM50203526
((6S,7S)-6-(4-phenyl-3,6-dihydro-2H-pyridine-1-carb...)Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(=CC1)c1ccccc1 |c:19| Show InChI InChI=1S/C20H25N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-6,16-17,21,26H,7-13H2,(H,22,24)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203538
((6S,7S)-6-(3-phenyl-2,5-dihydro-pyrrole-1-carbonyl...)Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC=C(C1)c1ccccc1 |c:18| Show InChI InChI=1S/C19H23N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-6,15-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203527
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19| Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203528
((6S,7S)-N-hydroxy-5-methyl-6-[(4-phenyl-3,6-dihydr...)Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |c:16| Show InChI InChI=1S/C21H27N3O3/c1-23-14-21(9-10-21)13-17(19(25)22-27)18(23)20(26)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,27H,8-14H2,1H3,(H,22,25)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203534
((6S,7S)-N-hydroxy-5-methyl-6-(4-phenylpiperazine-1...)Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C20H28N4O3/c1-22-14-20(7-8-20)13-16(18(25)21-27)17(22)19(26)24-11-9-23(10-12-24)15-5-3-2-4-6-15/h2-6,16-17,27H,7-14H2,1H3,(H,21,25)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203529
((6S,7S)-6-(4-phenyl-piperazine-1-carbonyl)-5-aza-s...)Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C19H26N4O3/c24-17(21-26)15-12-19(6-7-19)13-20-16(15)18(25)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-5,15-16,20,26H,6-13H2,(H,21,24)/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203535
((6S,7S)-N-hydroxy-6-(3,4,10,10a-tetrahydropyrazino...)Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCN2C(Cc3ccccc23)C1 Show InChI InChI=1S/C20H26N4O3/c25-18(22-27)15-10-20(5-6-20)12-21-17(15)19(26)23-7-8-24-14(11-23)9-13-3-1-2-4-16(13)24/h1-4,14-15,17,21,27H,5-12H2,(H,22,25)/t14?,15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203537
((6S,7S)-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-s...)Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203533
((6S,7S)-N-hydroxy-6-((R)-3-phenylpyrrolidine-1-car...)Show SMILES ONC(=O)[C@H]1CC2(CC2)CN[C@@H]1C(=O)N1CC[C@@H](C1)c1ccccc1 Show InChI InChI=1S/C19H25N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-5,14-16,20,25H,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203532
((6S,7S)-5-methyl-5-aza-spiro[2.5]octane-6,7-dicarb...)Show SMILES CCC(C)NC(=O)[C@@H]1[C@H](CC2(CC2)CN1C)C(=O)NO Show InChI InChI=1S/C14H25N3O3/c1-4-9(2)15-13(19)11-10(12(18)16-20)7-14(5-6-14)8-17(11)3/h9-11,20H,4-8H2,1-3H3,(H,15,19)(H,16,18)/t9?,10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203530
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)pi...)Show SMILES Cc1cc(ccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O Show InChI InChI=1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)12-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203525
((6S,7S)-N-hydroxy-6-[(5-methyl-4-phenyl-3,6-dihydr...)Show SMILES CC1=C(CCN(C1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)c1ccccc1 |t:1| Show InChI InChI=1S/C21H27N3O3/c1-14-12-24(10-7-16(14)15-5-3-2-4-6-15)20(26)18-17(19(25)23-27)11-21(8-9-21)13-22-18/h2-6,17-18,22,27H,7-13H2,1H3,(H,23,25)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203531
((6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-3...)Show SMILES Cc1cc(ccc1C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO)[N+]([O-])=O |t:8| Show InChI InChI=1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)12-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50203524
((6S,7S)-N-hydroxy-6-{[4-(2-methylphenyl)piperazin-...)Show SMILES Cc1ccccc1N1CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO Show InChI InChI=1S/C20H28N4O3/c1-14-4-2-3-5-16(14)23-8-10-24(11-9-23)19(26)17-15(18(25)22-27)12-20(6-7-20)13-21-17/h2-5,15,17,21,27H,6-13H2,1H3,(H,22,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 |
J Med Chem 50: 603-6 (2007)
Article DOI: 10.1021/jm061344o
BindingDB Entry DOI: 10.7270/Q2JQ10P5 |
More data for this
Ligand-Target Pair | |
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