Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50095805'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50095805 (2-{4-[3-(1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin...) Show SMILES O=C1CN(CCCN2CCN(CC2)c2ccccc2C#N)C(=O)C2CCCN12 Show InChI InChI=1S/C21H27N5O2/c22-15-17-5-1-2-6-18(17)24-13-11-23(12-14-24)8-4-9-25-16-20(27)26-10-3-7-19(26)21(25)28/h1-2,5-6,19H,3-4,7-14,16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes				J Med Chem 44: 198-207 (2001) BindingDB Entry DOI: 10.7270/Q2MW2HWS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50095805 (2-{4-[3-(1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin...) Show SMILES O=C1CN(CCCN2CCN(CC2)c2ccccc2C#N)C(=O)C2CCCN12 Show InChI InChI=1S/C21H27N5O2/c22-15-17-5-1-2-6-18(17)24-13-11-23(12-14-24)8-4-9-25-16-20(27)26-10-3-7-19(26)21(25)28/h1-2,5-6,19H,3-4,7-14,16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using radioligand [3H]-8-OH-DPAT				J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH
					More data for this Ligand-Target Pair