Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50001110'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001110 (8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...) Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1 Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase II				J Med Chem 35: 3058-66 (1992) BindingDB Entry DOI: 10.7270/Q21835G5
					More data for this Ligand-Target Pair