BDBM50274341 CHEMBL520312::N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-3-methoxybenzamide

SMILES: COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1

InChI Key: InChIKey=NWKSLWHGCANTBP-UHFFFAOYSA-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 = 50274341   

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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50274341 (CHEMBL520312 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of ITK by DELFIA assay				Bioorg Med Chem Lett 18: 5545-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50274341 (CHEMBL520312 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES COc1cccc(c1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of IRK				Bioorg Med Chem Lett 18: 5545-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.015 BindingDB Entry DOI: 10.7270/Q2M32VMD
					More data for this Ligand-Target Pair