BDBM50217211 CHEMBL318022

SMILES: CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1

InChI Key: InChIKey=HSNXWBWNKQWFON-ROUUACIJSA-N

Data: 1 KI

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 = 50217211   

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
5-hydroxytryptamine receptor 1D (RAT)	BDBM50217211 (CHEMBL318022) Show SMILES CC(=O)c1ccc2OC(C)(C)[C@@H](O)[C@@H](NC(=O)c3cccc(Cl)c3Cl)c2c1 Show InChI InChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-13(9-11)17(18(25)20(2,3)27-15)23-19(26)12-5-4-6-14(21)16(12)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]- SB-204269 displacement.				Bioorg Med Chem Lett 9: 285-90 (1999) BindingDB Entry DOI: 10.7270/Q2VD71N3
					More data for this Ligand-Target Pair