BindingDB logo
myBDB logout

BDBM50318121 (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one::CHEMBL1097426

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

InChI Key: InChIKey=IHQMLJBDDJVMHI-HSZRJFAPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50318121   
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))
BDBM50318121
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(CCO)CC1 |r|
Show InChI InChI=1S/C27H31ClN6O3/c1-17-13-20(34-9-7-33(8-10-34)11-12-35)15-22-25(17)32-26(31-22)24-21(5-6-29-27(24)37)30-16-23(36)18-3-2-4-19(28)14-18/h2-6,13-15,23,35-36H,7-12,16H2,1H3,(H,31,32)(H2,29,30,37)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 26n/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))
BDBM50318121
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(CCO)CC1 |r|
Show InChI InChI=1S/C27H31ClN6O3/c1-17-13-20(34-9-7-33(8-10-34)11-12-35)15-22-25(17)32-26(31-22)24-21(5-6-29-27(24)37)30-16-23(36)18-3-2-4-19(28)14-18/h2-6,13-15,23,35-36H,7-12,16H2,1H3,(H,31,32)(H2,29,30,37)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 3.30E+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