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BDBM50318122 (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(3-hydroxypropyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one::CHEMBL1095439

SMILES: Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1

InChI Key: InChIKey=ZQLGJARKBUVURE-XMMPIXPASA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318122   
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))
BDBM50318122
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1 |r|
Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-11-9-34(10-12-35)8-3-13-36)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)38)31-17-24(37)19-4-2-5-20(29)15-19/h2,4-7,14-16,24,36-37H,3,8-13,17H2,1H3,(H,32,33)(H2,30,31,38)/t24-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 16n/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))
BDBM50318122
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1 |r|
Show InChI InChI=1S/C28H33ClN6O3/c1-18-14-21(35-11-9-34(10-12-35)8-3-13-36)16-23-26(18)33-27(32-23)25-22(6-7-30-28(25)38)31-17-24(37)19-4-2-5-20(29)15-19/h2,4-7,14-16,24,36-37H,3,8-13,17H2,1H3,(H,32,33)(H2,30,31,38)/t24-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.90E+3n/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