BDBM50038591 6-(5-Chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hexanoic acid::CHEMBL301550

SMILES: Cn1c(c(CCCCCC(O)=O)c2cc(Cl)ccc12)-c1cccnc1

InChI Key: InChIKey=BYQANTGKEVLUKZ-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 = 50038591   

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
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human))	BDBM50038591 (6-(5-Chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)...) Show SMILES Cn1c(c(CCCCCC(O)=O)c2cc(Cl)ccc12)-c1cccnc1 Show InChI InChI=1S/C20H21ClN2O2/c1-23-18-10-9-15(21)12-17(18)16(7-3-2-4-8-19(24)25)20(23)14-6-5-11-22-13-14/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)				J Med Chem 37: 1823-32 (1994) BindingDB Entry DOI: 10.7270/Q280537C
					More data for this Ligand-Target Pair