BDBM50402154 CHEMBL2208000

SMILES: Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCC(=O)CC1

InChI Key: InChIKey=DEVWVVPHKNDTLI-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 = 50402154   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50402154 (CHEMBL2208000) Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCC(=O)CC1 Show InChI InChI=1S/C20H18N4OS2/c1-11-9-26-20(22-11)18-17(13-4-7-15-16(8-13)27-10-21-15)23-19(24-18)12-2-5-14(25)6-3-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA				Bioorg Med Chem 20: 7128-38 (2012) Article DOI: 10.1016/j.bmc.2012.09.066 BindingDB Entry DOI: 10.7270/Q2542PQ0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50402154 (CHEMBL2208000) Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCC(=O)CC1 Show InChI InChI=1S/C20H18N4OS2/c1-11-9-26-20(22-11)18-17(13-4-7-15-16(8-13)27-10-21-15)23-19(24-18)12-2-5-14(25)6-3-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ALK5-mediated TNFalpha-induced Smad2/3 phosphorylation in human A549 cells preincubated for 2 hrs before addition of TNFalpha after 1 h...				Bioorg Med Chem 20: 7128-38 (2012) Article DOI: 10.1016/j.bmc.2012.09.066 BindingDB Entry DOI: 10.7270/Q2542PQ0
					More data for this Ligand-Target Pair