Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50078561'   

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 (Mus musculus (Mouse))	BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3	PDB 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 Binding affinity of the compound towards 5-HT1A receptor				Bioorg Med Chem Lett 9: 1679-82 (1999) BindingDB Entry DOI: 10.7270/Q2R210JP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3	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))	BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3	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 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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1 Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes				J Med Chem 48: 2548-2558 (2005) Article DOI: 10.1021/jm048999e BindingDB Entry DOI: 10.7270/Q23F4PNB
					More data for this Ligand-Target Pair