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BDBM50318118 (S)-methyl 4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperazine-1-carboxylate::CHEMBL1097032

SMILES: COC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O

InChI Key: InChIKey=QDKVMCOVHGDSAE-JOCHJYFZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318118   
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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50318118
PNG
((S)-methyl 4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyet...)
Show SMILES COC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C27H29ClN6O4/c1-16-12-19(33-8-10-34(11-9-33)27(37)38-2)14-21-24(16)32-25(31-21)23-20(6-7-29-26(23)36)30-15-22(35)17-4-3-5-18(28)13-17/h3-7,12-14,22,35H,8-11,15H2,1-2H3,(H,31,32)(H2,29,30,36)/t22-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 175n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50318118
PNG
((S)-methyl 4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyet...)
Show SMILES COC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C27H29ClN6O4/c1-16-12-19(33-8-10-34(11-9-33)27(37)38-2)14-21-24(16)32-25(31-21)23-20(6-7-29-26(23)36)30-15-22(35)17-4-3-5-18(28)13-17/h3-7,12-14,22,35H,8-11,15H2,1-2H3,(H,31,32)(H2,29,30,36)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 assessed as dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair