BDBM50365553 CHEMBL1957675

SMILES: CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1

InChI Key: InChIKey=OKFUFEJJSJNOTF-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 = 50365553   

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))	BDBM50365553 (CHEMBL1957675) Show SMILES CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C19H19N5OS2/c1-3-4-16(25)20-8-15-23-17(18(24-15)19-22-11(2)9-26-19)12-5-6-13-14(7-12)27-10-21-13/h5-7,9-10H,3-4,8H2,1-2H3,(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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50365553 (CHEMBL1957675) Show SMILES CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C19H19N5OS2/c1-3-4-16(25)20-8-15-23-17(18(24-15)19-22-11(2)9-26-19)12-5-6-13-14(7-12)27-10-21-13/h5-7,9-10H,3-4,8H2,1-2H3,(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	32	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK5 activity in human A549 cells assessed as TGFbeta-induced smad2/3 phosphorylation after 2 hrs by fluorescence ass...				Bioorg Med Chem Lett 22: 2024-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.066 BindingDB Entry DOI: 10.7270/Q2668DPH
					More data for this Ligand-Target Pair