BDBM50274395 CHEMBL521468::N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)-4-methylbenzamide

SMILES: CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1

InChI Key: InChIKey=BIMDLYKTGNEGNE-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 = 50274395   

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))	BDBM50274395 (CHEMBL521468 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(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	35	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))	BDBM50274395 (CHEMBL521468 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C)cc3)nc2c1 Show InChI InChI=1S/C26H31N5O3/c1-17-8-10-18(11-9-17)24(33)29-26-28-21-16-20(12-13-22(21)31(26)15-14-23(27)32)30(2)25(34)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(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	>1.00E+4	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