Found 12 hits of Enzyme Inhibition Constant Data 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 |
|---|
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076341
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (MMP-3) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50241372
((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (MMP-3) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076370
((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C14H17N5O2S2/c1-19(2)11(20)10(8-9-6-4-3-5-7-9)15-12(21)16-13-17-18-14(22)23-13/h3-7,10H,8H2,1-2H3,(H,18,22)(H2,15,16,17,21)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (MMP-3) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50076341
((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...)Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50241372
((S)-1-(1-(methylamino)-1-oxo-3-phenylpropan-2-yl)-...)Show InChI InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50076343
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (MMP-3) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50241377
((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)Show InChI InChI=1S/C7H11N5O3S2/c1-8-4(14)3(2-13)9-5(15)10-6-11-12-7(16)17-6/h3,13H,2H2,1H3,(H,8,14)(H,12,16)(H2,9,10,11,15)/t3-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (MMP-3) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50241371
(1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...)Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50241371
(1-(2-(methylamino)-2-oxoethyl)-3-(5-thioxo-4,5-dih...)Show InChI InChI=1S/C6H9N5O2S2/c1-7-3(12)2-8-4(13)9-5-10-11-6(14)15-5/h2H2,1H3,(H,7,12)(H,11,14)(H2,8,9,10,13) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.66E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (MMP-3) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50241377
((S)-1-(3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)...)Show InChI InChI=1S/C7H11N5O3S2/c1-8-4(14)3(2-13)9-5(15)10-6-11-12-7(16)17-6/h3,13H,2H2,1H3,(H,8,14)(H,12,16)(H2,9,10,11,15)/t3-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50076343
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50076370
((S)-N,N-Dimethyl-3-phenyl-2-[3-(5-thioxo-4,5-dihyd...)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C14H17N5O2S2/c1-19(2)11(20)10(8-9-6-4-3-5-7-9)15-12(21)16-13-17-18-14(22)23-13/h3-7,10H,8H2,1-2H3,(H,18,22)(H2,15,16,17,21)/t10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of human Matrix metalloproteinase-2 (gelatinase-A) |
J Med Chem 47: 3065-74 (2004)
Article DOI: 10.1021/jm030570k
BindingDB Entry DOI: 10.7270/Q26M368W |
More data for this
Ligand-Target Pair | |
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