Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50019407 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 |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50204386
((3S,4S)-methyl 3-(hydroxycarbamoyl)-4-(4-((2-methy...)Show SMILES COC(=O)N1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C25H26N4O5/c1-15-11-18(19-5-3-4-6-21(19)26-15)12-16-7-9-17(10-8-16)23(30)27-22-14-29(25(32)34-2)13-20(22)24(31)28-33/h3-11,20,22,33H,12-14H2,1-2H3,(H,27,30)(H,28,31)/t20-,22+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204398
((3S,4S)-N-hydroxy-1-methyl-4-(4-((2-methylquinolin...)Show SMILES CN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C24H26N4O3/c1-15-11-18(19-5-3-4-6-21(19)25-15)12-16-7-9-17(10-8-16)23(29)26-22-14-28(2)13-20(22)24(30)27-31/h3-11,20,22,31H,12-14H2,1-2H3,(H,26,29)(H,27,30)/t20-,22+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204402
((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...)Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204397
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CN(CC#C)C[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C26H26N4O3/c1-3-12-30-15-22(26(32)29-33)24(16-30)28-25(31)19-10-8-18(9-11-19)14-20-13-17(2)27-23-7-5-4-6-21(20)23/h1,4-11,13,22,24,33H,12,14-16H2,2H3,(H,28,31)(H,29,32)/t22-,24+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204401
((3S,4S)-N-hydroxy-1-isobutyl-4-(4-((2-methylquinol...)Show SMILES CC(C)CN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H32N4O3/c1-17(2)14-31-15-23(27(33)30-34)25(16-31)29-26(32)20-10-8-19(9-11-20)13-21-12-18(3)28-24-7-5-4-6-22(21)24/h4-12,17,23,25,34H,13-16H2,1-3H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204395
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)C(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C28H32N4O4/c1-17-13-20(21-7-5-6-8-23(21)29-17)14-18-9-11-19(12-10-18)25(33)30-24-16-32(27(35)28(2,3)4)15-22(24)26(34)31-36/h5-13,22,24,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)/t22-,24+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204409
(CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204399
((3R,4S)-N-hydroxy-4-(3-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2cccc(c2)C(=O)N[C@@H]2COC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H23N3O4/c1-14-9-17(18-7-2-3-8-20(18)24-14)11-15-5-4-6-16(10-15)22(27)25-21-13-30-12-19(21)23(28)26-29/h2-10,19,21,29H,11-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204393
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CN(CC(C)(C)C)C[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C28H34N4O3/c1-18-13-21(22-7-5-6-8-24(22)29-18)14-19-9-11-20(12-10-19)26(33)30-25-16-32(17-28(2,3)4)15-23(25)27(34)31-35/h5-13,23,25,35H,14-17H2,1-4H3,(H,30,33)(H,31,34)/t23-,25+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204391
((3S,4S)-1-(butylsulfonyl)-N-hydroxy-4-(4-((2-methy...)Show SMILES CCCCS(=O)(=O)N1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H32N4O5S/c1-3-4-13-37(35,36)31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,3-4,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204387
(CHEMBL234032 | N-(4-(2-(hydroxyamino)-2-oxoethyl)-...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCOCC2)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O4/c1-17-14-20(21-4-2-3-5-22(21)26-17)15-18-6-8-19(9-7-18)24(30)27-25(16-23(29)28-31)10-12-32-13-11-25/h2-9,14,31H,10-13,15-16H2,1H3,(H,27,30)(H,28,29) | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50204392
((3R,4R)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O4/c1-15-12-18(19-4-2-3-5-21(19)25-15)13-16-6-8-17(9-7-16)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1 | PDB
MMDB
NCI pathway
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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 1865-70 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.041
BindingDB Entry DOI: 10.7270/Q2KK9BF4 |
More data for this
Ligand-Target Pair | |
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