BDBM50212765 CHEMBL400228::N-(1-(3-aminopropyl)-5-(cyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)thiophene-2-carboxamide

SMILES: NCCCn1c(NC(=O)c2cccs2)nc2cc(NC(=O)C3CCCCC3)ccc12

InChI Key: InChIKey=WXXWTZZAPUCLIM-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 = 50212765   

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))	BDBM50212765 (CHEMBL400228 | N-(1-(3-aminopropyl)-5-(cyclohexane...) Show SMILES NCCCn1c(NC(=O)c2cccs2)nc2cc(NC(=O)C3CCCCC3)ccc12 Show InChI InChI=1S/C22H27N5O2S/c23-11-5-12-27-18-10-9-16(24-20(28)15-6-2-1-3-7-15)14-17(18)25-22(27)26-21(29)19-8-4-13-30-19/h4,8-10,13-15H,1-3,5-7,11-12,23H2,(H,24,28)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212765 (CHEMBL400228 | N-(1-(3-aminopropyl)-5-(cyclohexane...) Show SMILES NCCCn1c(NC(=O)c2cccs2)nc2cc(NC(=O)C3CCCCC3)ccc12 Show InChI InChI=1S/C22H27N5O2S/c23-11-5-12-27-18-10-9-16(24-20(28)15-6-2-1-3-7-15)14-17(18)25-22(27)26-21(29)19-8-4-13-30-19/h4,8-10,13-15H,1-3,5-7,11-12,23H2,(H,24,28)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	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