BDBM50257858 CHEMBL492990::N-(5-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)-1-(2-hydroxy-2-methylpropyl)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide

SMILES: CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1

InChI Key: InChIKey=MCTMVANAYQPALM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50257858   

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))	BDBM50257858 (CHEMBL492990 | N-(5-(((2-(dimethylamino)ethyl)(met...) Show SMILES CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1 Show InChI InChI=1S/C25H33N7O2S/c1-25(2,34)16-32-20-7-6-17(15-31(5)11-10-30(3)4)12-19(20)28-24(32)29-23(33)22-9-8-21(35-22)18-13-26-27-14-18/h6-9,12-14,34H,10-11,15-16H2,1-5H3,(H,26,27)(H,28,29,33)	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	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to ITK (unknown origin) by DELFIA-based molecular assay				Bioorg Med Chem Lett 19: 1588-91 (2009) Article DOI: 10.1016/j.bmcl.2009.02.012 BindingDB Entry DOI: 10.7270/Q261106W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50257858 (CHEMBL492990 | N-(5-(((2-(dimethylamino)ethyl)(met...) Show SMILES CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1 Show InChI InChI=1S/C25H33N7O2S/c1-25(2,34)16-32-20-7-6-17(15-31(5)11-10-30(3)4)12-19(20)28-24(32)29-23(33)22-9-8-21(35-22)18-13-26-27-14-18/h6-9,12-14,34H,10-11,15-16H2,1-5H3,(H,26,27)(H,28,29,33)	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	62	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Antagonist activity at human ITK expressed in BTK deficient DT40 cells assessed as inhibition of B cell receptor-stimulated calcium influx				Bioorg Med Chem Lett 19: 1588-91 (2009) Article DOI: 10.1016/j.bmcl.2009.02.012 BindingDB Entry DOI: 10.7270/Q261106W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50257858 (CHEMBL492990 | N-(5-(((2-(dimethylamino)ethyl)(met...) Show SMILES CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1 Show InChI InChI=1S/C25H33N7O2S/c1-25(2,34)16-32-20-7-6-17(15-31(5)11-10-30(3)4)12-19(20)28-24(32)29-23(33)22-9-8-21(35-22)18-13-26-27-14-18/h6-9,12-14,34H,10-11,15-16H2,1-5H3,(H,26,27)(H,28,29,33)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of ITK (unknown origin) in presence of 1 mM ATP				Bioorg Med Chem Lett 19: 1588-91 (2009) Article DOI: 10.1016/j.bmcl.2009.02.012 BindingDB Entry DOI: 10.7270/Q261106W
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50257858 (CHEMBL492990 | N-(5-(((2-(dimethylamino)ethyl)(met...) Show SMILES CN(C)CCN(C)Cc1ccc2n(CC(C)(C)O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1 Show InChI InChI=1S/C25H33N7O2S/c1-25(2,34)16-32-20-7-6-17(15-31(5)11-10-30(3)4)12-19(20)28-24(32)29-23(33)22-9-8-21(35-22)18-13-26-27-14-18/h6-9,12-14,34H,10-11,15-16H2,1-5H3,(H,26,27)(H,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of IRK				Bioorg Med Chem Lett 19: 1588-91 (2009) Article DOI: 10.1016/j.bmcl.2009.02.012 BindingDB Entry DOI: 10.7270/Q261106W
					More data for this Ligand-Target Pair