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SMILES: CCC(=O)NCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1

InChI Key: InChIKey=FOFBGWSDCXZFJS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402179   

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))	BDBM50402179 (CHEMBL2208012) Show SMILES CCC(=O)NCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C19H19N5OS2/c1-3-16(25)20-7-6-15-23-17(18(24-15)19-22-11(2)9-26-19)12-4-5-13-14(8-12)27-10-21-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,25)(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	130	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50402179 (CHEMBL2208012) Show SMILES CCC(=O)NCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C19H19N5OS2/c1-3-16(25)20-7-6-15-23-17(18(24-15)19-22-11(2)9-26-19)12-4-5-13-14(8-12)27-10-21-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,25)(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	25	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