BDBM50274205 CHEMBL485564::N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)thiophene-2-carboxamide

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

InChI Key: InChIKey=DVAYUYCZMIQXLC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50274205   

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))	BDBM50274205 (CHEMBL485564 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H27N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30)	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	40	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
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50274205 (CHEMBL485564 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H27N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30)	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR 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))	BDBM50274205 (CHEMBL485564 | N-(1-(3-amino-3-oxopropyl)-5-(N-met...) Show SMILES CN(C(=O)C1CCCCC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C23H27N5O3S/c1-27(22(31)15-6-3-2-4-7-15)16-9-10-18-17(14-16)25-23(28(18)12-11-20(24)29)26-21(30)19-8-5-13-32-19/h5,8-10,13-15H,2-4,6-7,11-12H2,1H3,(H2,24,29)(H,25,26,30)	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	140	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