BDBM50212785 CHEMBL233169::N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide

SMILES: CN(C1CCCCC1)C(=O)c1ccc2n(CCO)c(NC(=O)c3cccs3)nc2c1

InChI Key: InChIKey=NABMXRNHLTVSKG-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 = 50212785   

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))	BDBM50212785 (CHEMBL233169 | N-cyclohexyl-1-(2-hydroxyethyl)-N-m...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCO)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C22H26N4O3S/c1-25(16-6-3-2-4-7-16)21(29)15-9-10-18-17(14-15)23-22(26(18)11-12-27)24-20(28)19-8-5-13-30-19/h5,8-10,13-14,16,27H,2-4,6-7,11-12H2,1H3,(H,23,24,28)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212785 (CHEMBL233169 | N-cyclohexyl-1-(2-hydroxyethyl)-N-m...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCO)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C22H26N4O3S/c1-25(16-6-3-2-4-7-16)21(29)15-9-10-18-17(14-15)23-22(26(18)11-12-27)24-20(28)19-8-5-13-30-19/h5,8-10,13-14,16,27H,2-4,6-7,11-12H2,1H3,(H,23,24,28)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Effect on human ITK in DT40 cells assessed as induction of calcium influx by FLIPR assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair