BDBM50234219 CHEMBL4095779

SMILES: Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3NC(=O)CCc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1

InChI Key: InChIKey=JJGAKTMZKVUBMJ-BKMJKUGQSA-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 = 50234219   

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
Tryptophan 5-hydroxylase 1 (Homo sapiens (Human))	BDBM50234219 (CHEMBL4095779) Show SMILES Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3NC(=O)CCc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1 |r| Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)26(18-3-1-17(2-4-18)19-5-7-21-20(13-19)6-8-24(40)36-21)43-25-14-23(37-28(34)38-25)39-11-9-29(10-12-39)15-22(27(41)42)35-16-29/h1-5,7,13-14,22,26,35H,6,8-12,15-16H2,(H,36,40)(H,41,42)(H2,34,37,38)/t22-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Karos Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TPH1 (unknown origin)				Bioorg Med Chem Lett 27: 413-419 (2017) BindingDB Entry DOI: 10.7270/Q21V5H7S
					More data for this Ligand-Target Pair