BDBM27881 4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-{6-[1-(2-methoxyethyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one::benzimidazole scaffold, 3

SMILES: COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O

InChI Key: InChIKey=PSHCEXAQPYCQDU-RUZDIDTESA-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 = 27881   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM27881 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C29H34ClN5O3/c1-18-14-21(19-7-10-35(11-8-19)12-13-38-2)16-24-27(18)34-28(33-24)26-23(6-9-31-29(26)37)32-17-25(36)20-4-3-5-22(30)15-20/h3-6,9,14-16,19,25,36H,7-8,10-13,17H2,1-2H3,(H,33,34)(H2,31,32,37)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	7.4	37
Bristol-Myers Squibb Company					Assay Description The inhibition of recombinant human CYP3A4 was measured as the ability to perform a dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Befo...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM27881 (4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...) Show SMILES COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r| Show InChI InChI=1S/C29H34ClN5O3/c1-18-14-21(19-7-10-35(11-8-19)12-13-38-2)16-24-27(18)34-28(33-24)26-23(6-9-31-29(26)37)32-17-25(36)20-4-3-5-22(30)15-20/h3-6,9,14-16,19,25,36H,7-8,10-13,17H2,1-2H3,(H,33,34)(H2,31,32,37)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	30
Bristol-Myers Squibb Company					Assay Description The IGF-1 receptor tyrosine kinase was assayed using the synthetic polymer poly(Glu/Tyr) as a phosphoacceptor substrate. Incorporated radioactivity w...				J Med Chem 51: 5897-900 (2008) Article DOI: 10.1021/jm800832q BindingDB Entry DOI: 10.7270/Q2513WJK
					More data for this Ligand-Target Pair