BDBM50218682 CHEMBL243575::N-[2-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-benzo[b]thiophen-7-yl]-6-cyclopropylamino-nicotinamide

SMILES: COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=SYLXLRJHNPOSFK-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 = 50218682   

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 Lyn (Homo sapiens (Human))	BDBM50218682 (CHEMBL243575 | N-[2-(5-tert-butyl-3-methanesulfony...) Show SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20/h6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37)	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	230	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Lyn				J Med Chem 50: 4016-26 (2007) Article DOI: 10.1021/jm070415w BindingDB Entry DOI: 10.7270/Q2697382
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50218682 (CHEMBL243575 | N-[2-(5-tert-butyl-3-methanesulfony...) Show SMILES COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C30H33N5O5S2/c1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20/h6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37)	PDB MMDB NCI pathway 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	16	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of JNK2				J Med Chem 50: 4016-26 (2007) Article DOI: 10.1021/jm070415w BindingDB Entry DOI: 10.7270/Q2697382
					More data for this Ligand-Target Pair