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BDBM50204403 (3R,4R)-4-(4-((2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl)benzamido)-N-hydroxy-tetrahydro-2H-pyran-3-carboxamide::CHEMBL234604

SMILES: ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c3CCCc3nc3ccccc23)cc1

InChI Key: InChIKey=PXOOBCXHHRLMFT-XUZZJYLKSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50204403   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 17


(Sus scrofa (pig))
BDBM50204403
PNG
((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/an/a 1n/an/an/an/an/an/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))
BDBM50204403
PNG
((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/an/a 72n/an/an/an/an/an/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