Found 112 hits Enz. Inhib. hit(s) with all data for 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 |
|---|
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204396
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H24N4O3/c1-14-10-17(18-4-2-3-5-20(18)25-14)11-15-6-8-16(9-7-15)22(28)26-21-13-24-12-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204403
((3R,4R)-4-(4-((2,3-dihydro-1H-cyclopenta[b]quinoli...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3CCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N3O4/c30-25(28-24-12-13-33-15-21(24)26(31)29-32)17-10-8-16(9-11-17)14-20-18-4-1-2-6-22(18)27-23-7-3-5-19(20)23/h1-2,4,6,8-11,21,24,32H,3,5,7,12-15H2,(H,28,30)(H,29,31)/t21-,24+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204408
((3R,4R)-N-hydroxy-4-(4-((2-isopropylquinolin-4-yl)...)Show SMILES CC(C)c1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C26H29N3O4/c1-16(2)24-14-19(20-5-3-4-6-22(20)27-24)13-17-7-9-18(10-8-17)25(30)28-23-11-12-33-15-21(23)26(31)29-32/h3-10,14,16,21,23,32H,11-13,15H2,1-2H3,(H,28,30)(H,29,31)/t21-,23+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204404
((3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-((2-m...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C28H32N4O5/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(15-22(24)26(34)31-36)27(35)37-28(2,3)4/h5-13,22,24,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)/t22-,24+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204389
((3R,4R)-4-(4-((2,3-dimethylquinolin-4-yl)methyl)be...)Show SMILES Cc1nc2ccccc2c(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c1C Show InChI InChI=1S/C25H27N3O4/c1-15-16(2)26-22-6-4-3-5-19(22)20(15)13-17-7-9-18(10-8-17)24(29)27-23-11-12-32-14-21(23)25(30)28-31/h3-10,21,23,31H,11-14H2,1-2H3,(H,27,29)(H,28,30)/t21-,23+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204385
((3R,4R)-4-(4-((2-(dimethylamino)quinolin-4-yl)meth...)Show SMILES CN(C)c1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H28N4O4/c1-29(2)23-14-18(19-5-3-4-6-21(19)26-23)13-16-7-9-17(10-8-16)24(30)27-22-11-12-33-15-20(22)25(31)28-32/h3-10,14,20,22,32H,11-13,15H2,1-2H3,(H,27,30)(H,28,31)/t20-,22+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204412
((3R,4R)-4-(4-((2-cyclopropylquinolin-4-yl)methyl)b...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2cc(nc3ccccc23)C2CC2)cc1 Show InChI InChI=1S/C26H27N3O4/c30-25(28-23-11-12-33-15-21(23)26(31)29-32)18-7-5-16(6-8-18)13-19-14-24(17-9-10-17)27-22-4-2-1-3-20(19)22/h1-8,14,17,21,23,32H,9-13,15H2,(H,28,30)(H,29,31)/t21-,23+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204400
((3R,4R)-4-(4-((2,3-dihydrofuro[2,3-b]quinolin-4-yl...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3CCOc3nc3ccccc23)cc1 Show InChI InChI=1S/C25H25N3O5/c29-23(26-22-10-11-32-14-20(22)24(30)28-31)16-7-5-15(6-8-16)13-19-17-3-1-2-4-21(17)27-25-18(19)9-12-33-25/h1-8,20,22,31H,9-14H2,(H,26,29)(H,28,30)/t20-,22+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204388
((3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-(2-me...)Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C27H30N4O6/c1-16-13-23(19-7-5-6-8-21(19)28-16)36-18-11-9-17(10-12-18)24(32)29-22-15-31(14-20(22)25(33)30-35)26(34)37-27(2,3)4/h5-13,20,22,35H,14-15H2,1-4H3,(H,29,32)(H,30,33)/t20-,22+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204413
((3R,4R)-N-hydroxy-4-(4-((3-methylquinolin-4-yl)met...)Show SMILES Cc1cnc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO Show InChI InChI=1S/C24H25N3O4/c1-15-13-25-21-5-3-2-4-18(21)19(15)12-16-6-8-17(9-7-16)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,13,20,22,30H,10-12,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204406
((3R,4R)-N-hydroxy-4-(4-((2-morpholinoquinolin-4-yl...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2cc(nc3ccccc23)N2CCOCC2)cc1 Show InChI InChI=1S/C27H30N4O5/c32-26(29-24-9-12-36-17-22(24)27(33)30-34)19-7-5-18(6-8-19)15-20-16-25(31-10-13-35-14-11-31)28-23-4-2-1-3-21(20)23/h1-8,16,22,24,34H,9-15,17H2,(H,29,32)(H,30,33)/t22-,24+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204390
((3R,4R)-4-(4-((2-ethylquinolin-4-yl)methyl)benzami...)Show SMILES CCc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O4/c1-2-19-14-18(20-5-3-4-6-22(20)26-19)13-16-7-9-17(10-8-16)24(29)27-23-11-12-32-15-21(23)25(30)28-31/h3-10,14,21,23,31H,2,11-13,15H2,1H3,(H,27,29)(H,28,30)/t21-,23+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204411
((3R,4R)-N-hydroxy-4-(4-((2-(trifluoromethyl)quinol...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2cc(nc3ccccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C24H22F3N3O4/c25-24(26,27)21-12-16(17-3-1-2-4-19(17)28-21)11-14-5-7-15(8-6-14)22(31)29-20-9-10-34-13-18(20)23(32)30-33/h1-8,12,18,20,33H,9-11,13H2,(H,29,31)(H,30,32)/t18-,20+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204394
((3R,4R)-4-(4-((1,3-dihydrofuro[3,4-b]quinolin-9-yl...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3COCc3nc3ccccc23)cc1 Show InChI InChI=1S/C25H25N3O5/c29-24(27-22-9-10-32-13-20(22)25(30)28-31)16-7-5-15(6-8-16)11-18-17-3-1-2-4-21(17)26-23-14-33-12-19(18)23/h1-8,20,22,31H,9-14H2,(H,27,29)(H,28,30)/t20-,22+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204407
((3S,4S)-N-hydroxy-4-(4-(2-methylquinolin-4-yloxy)b...)Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C22H22N4O4/c1-13-10-20(16-4-2-3-5-18(16)24-13)30-15-8-6-14(7-9-15)21(27)25-19-12-23-11-17(19)22(28)26-29/h2-10,17,19,23,29H,11-12H2,1H3,(H,25,27)(H,26,28)/t17-,19+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204405
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | BDBM50204410
((3R,4R)-4-(4-((3-ethyl-2-methylquinolin-4-yl)methy...)Show SMILES CCc1c(C)nc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO Show InChI InChI=1S/C26H29N3O4/c1-3-19-16(2)27-23-7-5-4-6-20(23)21(19)14-17-8-10-18(11-9-17)25(30)28-24-12-13-33-15-22(24)26(31)29-32/h4-11,22,24,32H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)/t22-,24+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204396
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H24N4O3/c1-14-10-17(18-4-2-3-5-20(18)25-14)11-15-6-8-16(9-7-15)22(28)26-21-13-24-12-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/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 | 67 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204403
((3R,4R)-4-(4-((2,3-dihydro-1H-cyclopenta[b]quinoli...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3CCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N3O4/c30-25(28-24-12-13-33-15-21(24)26(31)29-32)17-10-8-16(9-11-17)14-20-18-4-1-2-6-22(18)27-23-7-3-5-19(20)23/h1-2,4,6,8-11,21,24,32H,3,5,7,12-15H2,(H,28,30)(H,29,31)/t21-,24+/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 | 72 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204405
((3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)met...)Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21+/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 | 75 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204400
((3R,4R)-4-(4-((2,3-dihydrofuro[2,3-b]quinolin-4-yl...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3CCOc3nc3ccccc23)cc1 Show InChI InChI=1S/C25H25N3O5/c29-23(26-22-10-11-32-14-20(22)24(30)28-31)16-7-5-15(6-8-16)13-19-17-3-1-2-4-21(17)27-25-18(19)9-12-33-25/h1-8,20,22,31H,9-14H2,(H,26,29)(H,28,30)/t20-,22+/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 | 77 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204390
((3R,4R)-4-(4-((2-ethylquinolin-4-yl)methyl)benzami...)Show SMILES CCc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C25H27N3O4/c1-2-19-14-18(20-5-3-4-6-22(20)26-19)13-16-7-9-17(10-8-16)24(29)27-23-11-12-32-15-21(23)25(30)28-31/h3-10,14,21,23,31H,2,11-13,15H2,1H3,(H,27,29)(H,28,30)/t21-,23+/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 | 78 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204389
((3R,4R)-4-(4-((2,3-dimethylquinolin-4-yl)methyl)be...)Show SMILES Cc1nc2ccccc2c(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c1C Show InChI InChI=1S/C25H27N3O4/c1-15-16(2)26-22-6-4-3-5-19(22)20(15)13-17-7-9-18(10-8-17)24(29)27-23-11-12-32-14-21(23)25(30)28-31/h3-10,21,23,31H,11-14H2,1-2H3,(H,27,29)(H,28,30)/t21-,23+/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 | 85 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204394
((3R,4R)-4-(4-((1,3-dihydrofuro[3,4-b]quinolin-9-yl...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3COCc3nc3ccccc23)cc1 Show InChI InChI=1S/C25H25N3O5/c29-24(27-22-9-10-32-13-20(22)25(30)28-31)16-7-5-15(6-8-16)11-18-17-3-1-2-4-21(17)26-23-14-33-12-19(18)23/h1-8,20,22,31H,9-14H2,(H,27,29)(H,28,30)/t20-,22+/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 | 87 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 95 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204404
((3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-((2-m...)Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CN(C[C@@H]2C(=O)NO)C(=O)OC(C)(C)C)c2ccccc2n1 Show InChI InChI=1S/C28H32N4O5/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(15-22(24)26(34)31-36)27(35)37-28(2,3)4/h5-13,22,24,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)/t22-,24+/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 | 96 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 96 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Sus scrofa (pig)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | 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 pig TACE |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204413
((3R,4R)-N-hydroxy-4-(4-((3-methylquinolin-4-yl)met...)Show SMILES Cc1cnc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO Show InChI InChI=1S/C24H25N3O4/c1-15-13-25-21-5-3-2-4-18(21)19(15)12-16-6-8-17(9-7-16)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,13,20,22,30H,10-12,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/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 | 98 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204412
((3R,4R)-4-(4-((2-cyclopropylquinolin-4-yl)methyl)b...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2cc(nc3ccccc23)C2CC2)cc1 Show InChI InChI=1S/C26H27N3O4/c30-25(28-23-11-12-33-15-21(23)26(31)29-32)18-7-5-16(6-8-18)13-19-14-24(17-9-10-17)27-22-4-2-1-3-20(19)22/h1-8,14,17,21,23,32H,9-13,15H2,(H,28,30)(H,29,31)/t21-,23+/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 | 230 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204411
((3R,4R)-N-hydroxy-4-(4-((2-(trifluoromethyl)quinol...)Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2cc(nc3ccccc23)C(F)(F)F)cc1 Show InChI InChI=1S/C24H22F3N3O4/c25-24(26,27)21-12-16(17-3-1-2-4-19(17)28-21)11-14-5-7-15(8-6-14)22(31)29-20-9-10-34-13-18(20)23(32)30-33/h1-8,12,18,20,33H,9-11,13H2,(H,29,31)(H,30,32)/t18-,20+/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 | 260 | 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 TACE in human whole blood |
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 | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50204408
((3R,4R)-N-hydroxy-4-(4-((2-isopropylquinolin-4-yl)...)Show SMILES CC(C)c1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C26H29N3O4/c1-16(2)24-14-19(20-5-3-4-6-22(20)27-24)13-17-7-9-18(10-8-17)25(30)28-23-11-12-33-15-21(23)26(31)29-32/h3-10,14,16,21,23,32H,11-13,15H2,1-2H3,(H,28,30)(H,29,31)/t21-,23+/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 | 420 | 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 TACE in human whole blood |
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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