Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50033954   

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))	BDBM50354524 (CHEMBL265927) Show SMILES CCC1(CCCCN2CCN(CC2)c2ccccc2OC)C(=O)Nc2ccccc12 |w:2.1| Show InChI InChI=1S/C25H33N3O2/c1-3-25(20-10-4-5-11-21(20)26-24(25)29)14-8-9-15-27-16-18-28(19-17-27)22-12-6-7-13-23(22)30-2/h4-7,10-13H,3,8-9,14-19H2,1-2H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354499 (CHEMBL1836791) Show SMILES FC(F)(F)c1cccc(c1)C1=CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |t:11| Show InChI InChI=1S/C24H25F3N2O/c25-24(26,27)19-7-5-6-18(16-19)17-11-14-29(15-12-17)13-4-3-9-21-20-8-1-2-10-22(20)28-23(21)30/h1-2,5-8,10-11,16,21H,3-4,9,12-15H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354523 (CHEMBL407412) Show SMILES CCC1(CCCCN2CCN(CC2)c2ccccc2Cl)C(=O)Nc2ccccc12 |w:2.2| Show InChI InChI=1S/C24H30ClN3O/c1-2-24(19-9-3-5-11-21(19)26-23(24)29)13-7-8-14-27-15-17-28(18-16-27)22-12-6-4-10-20(22)25/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354505 (CHEMBL1836786) Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)Nc2ccccc12 Show InChI InChI=1S/C25H30F3N3O/c1-2-24(21-10-3-4-11-22(21)29-23(24)32)12-5-6-13-30-14-16-31(17-15-30)20-9-7-8-19(18-20)25(26,27)28/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354521 (CHEMBL408976) Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1| Show InChI InChI=1S/C24H30ClN3O/c1-2-24(21-10-3-4-11-22(21)26-23(24)29)12-5-6-13-27-14-16-28(17-15-27)20-9-7-8-19(25)18-20/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354501 (CHEMBL1836789) Show SMILES CCC1(CCCCN2CCN(CC2)c2ccccn2)C(=O)Nc2ccccc12 Show InChI InChI=1S/C23H30N4O/c1-2-23(19-9-3-4-10-20(19)25-22(23)28)12-6-8-14-26-15-17-27(18-16-26)21-11-5-7-13-24-21/h3-5,7,9-11,13H,2,6,8,12,14-18H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354498 (CHEMBL1836792) Show SMILES Fc1ccc2NC(=O)C(CCCCN3CCC(=CC3)c3cccc(c3)C(F)(F)F)c2c1 |c:16| Show InChI InChI=1S/C24H24F4N2O/c25-19-7-8-22-21(15-19)20(23(31)29-22)6-1-2-11-30-12-9-16(10-13-30)17-4-3-5-18(14-17)24(26,27)28/h3-5,7-9,14-15,20H,1-2,6,10-13H2,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354502 (CHEMBL1836788) Show SMILES O=C1Nc2ccccc2C1CCCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H26N4O/c26-21-18(17-7-1-2-9-19(17)23-21)8-4-6-12-24-13-15-25(16-14-24)20-10-3-5-11-22-20/h1-3,5,7,9-11,18H,4,6,8,12-16H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354522 (CHEMBL261209) Show SMILES Clc1cccc(c1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15| Show InChI InChI=1S/C22H26ClN3O/c23-17-6-5-7-18(16-17)26-14-12-25(13-15-26)11-4-3-9-20-19-8-1-2-10-21(19)24-22(20)27/h1-2,5-8,10,16,20H,3-4,9,11-15H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354508 (CHEMBL1836784) Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(F)c2)C(=O)Nc2ccccc12 Show InChI InChI=1S/C24H30FN3O/c1-2-24(21-10-3-4-11-22(21)26-23(24)29)12-5-6-13-27-14-16-28(17-15-27)20-9-7-8-19(25)18-20/h3-4,7-11,18H,2,5-6,12-17H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354500 (CHEMBL1836790) Show SMILES Fc1ccc2C(CCCCN3CCN(CC3)c3ccccn3)C(=O)Nc2c1 Show InChI InChI=1S/C21H25FN4O/c22-16-7-8-17-18(21(27)24-19(17)15-16)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,18H,2,4-5,10-14H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354491 (CHEMBL259550) Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12 |w:2.1| Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-17-19(26)8-9-22(21)27-23(24)30)10-3-4-11-28-12-14-29(15-13-28)20-7-5-6-18(25)16-20/h5-9,16-17H,2-4,10-15H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354520 (CHEMBL1836857) Show SMILES Fc1ccc2C(CCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)Nc2c1 Show InChI InChI=1S/C22H25ClFN3O/c23-16-4-3-5-18(14-16)27-12-10-26(11-13-27)9-2-1-6-20-19-8-7-17(24)15-21(19)25-22(20)28/h3-5,7-8,14-15,20H,1-2,6,9-13H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354495 (CHEMBL1836793) Show SMILES CCC1(CCCCN2CCC(=CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12 |c:10| Show InChI InChI=1S/C25H28ClFN2O/c1-2-25(22-17-21(27)8-9-23(22)28-24(25)30)12-3-4-13-29-14-10-18(11-15-29)19-6-5-7-20(26)16-19/h5-10,16-17H,2-4,11-15H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354525 (CHEMBL411663) Show SMILES Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccccc3)c2c1 |w:8.8| Show InChI InChI=1S/C22H26FN3O/c23-17-9-10-21-20(16-17)19(22(27)24-21)8-4-5-11-25-12-14-26(15-13-25)18-6-2-1-3-7-18/h1-3,6-7,9-10,16,19H,4-5,8,11-15H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354526 (CHEMBL1836856) Show SMILES O=C1Nc2ccccc2C1CCCCN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C22H27N3O/c26-22-20(19-10-4-5-12-21(19)23-22)11-6-7-13-24-14-16-25(17-15-24)18-8-2-1-3-9-18/h1-5,8-10,12,20H,6-7,11,13-17H2,(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	243	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354518 (CHEMBL1836858) Show SMILES CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2c1cc(Cl)c(F)c2Cl Show InChI InChI=1S/C24H27Cl3FN3O/c1-2-24(18-15-19(26)21(28)20(27)22(18)29-23(24)32)8-3-4-9-30-10-12-31(13-11-30)17-7-5-6-16(25)14-17/h5-7,14-15H,2-4,8-13H2,1H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354493 (CHEMBL409662) Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1| Show InChI InChI=1S/C24H29ClFN3O/c1-2-24(21-10-7-19(26)17-22(21)27-23(24)30)11-3-4-12-28-13-15-29(16-14-28)20-8-5-18(25)6-9-20/h5-10,17H,2-4,11-16H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50354492 (CHEMBL260994) Show SMILES Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15| Show InChI InChI=1S/C22H26ClN3O/c23-17-8-10-18(11-9-17)26-15-13-25(14-16-26)12-4-3-6-20-19-5-1-2-7-21(19)24-22(20)27/h1-2,5,7-11,20H,3-4,6,12-16H2,(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
EGIS Pharmaceuticals Plc. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane after 45 mins by scintillation counting				J Med Chem 54: 6657-69 (2011) Article DOI: 10.1021/jm200547z BindingDB Entry DOI: 10.7270/Q25Q4WGZ
					More data for this Ligand-Target Pair