BDBM50212772 CHEMBL232381::N-allyl-1-(3-amino-3-oxopropyl)-2-(4-bromobenzamido)-N-cyclohexyl-1H-benzo[d]imidazole-5-carboxamide

SMILES: NC(=O)CCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(ccc12)C(=O)N(CC=C)C1CCCCC1

InChI Key: InChIKey=GFSUPLWNXMKMDH-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 = 50212772   

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))	BDBM50212772 (CHEMBL232381 | N-allyl-1-(3-amino-3-oxopropyl)-2-(...) Show SMILES NC(=O)CCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(ccc12)C(=O)N(CC=C)C1CCCCC1 Show InChI InChI=1S/C27H30BrN5O3/c1-2-15-32(21-6-4-3-5-7-21)26(36)19-10-13-23-22(17-19)30-27(33(23)16-14-24(29)34)31-25(35)18-8-11-20(28)12-9-18/h2,8-13,17,21H,1,3-7,14-16H2,(H2,29,34)(H,30,31,35)	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	230	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))	BDBM50212772 (CHEMBL232381 | N-allyl-1-(3-amino-3-oxopropyl)-2-(...) Show SMILES NC(=O)CCn1c(NC(=O)c2ccc(Br)cc2)nc2cc(ccc12)C(=O)N(CC=C)C1CCCCC1 Show InChI InChI=1S/C27H30BrN5O3/c1-2-15-32(21-6-4-3-5-7-21)26(36)19-10-13-23-22(17-19)30-27(33(23)16-14-24(29)34)31-25(35)18-8-11-20(28)12-9-18/h2,8-13,17,21H,1,3-7,14-16H2,(H2,29,34)(H,30,31,35)	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	1.20E+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