BDBM50238088 CHEMBL4101991

SMILES: COc1cccc2nccc(Nc3cc(ncc3C)-c3cc(Cl)ccc3F)c12

InChI Key: InChIKey=LXDDHJNLFXQVGM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50238088   

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))	BDBM50238088 (CHEMBL4101991) Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3cc(Cl)ccc3F)c12 Show InChI InChI=1S/C22H17ClFN3O/c1-13-12-26-20(15-10-14(23)6-7-16(15)24)11-19(13)27-18-8-9-25-17-4-3-5-21(28-2)22(17)18/h3-12H,1-2H3,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase				Bioorg Med Chem Lett 27: 1955-1961 (2017) Article DOI: 10.1016/j.bmcl.2017.03.026 BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
					More data for this Ligand-Target Pair