Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50006753   

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 (Homo sapiens (Human))	BDBM50503044 (CHEMBL4572167) Show SMILES CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r| Show InChI InChI=1S/C18H22N2/c1-3-16-15-11-7-8-12-17(15)20(13-18(16,2)19)14-9-5-4-6-10-14/h4-12,16H,3,13,19H2,1-2H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503044 (CHEMBL4572167) Show SMILES CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r| Show InChI InChI=1S/C18H22N2/c1-3-16-15-11-7-8-12-17(15)20(13-18(16,2)19)14-9-5-4-6-10-14/h4-12,16H,3,13,19H2,1-2H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503063 (CHEMBL4435237) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(cccc21)-c1ccccc1 |r| Show InChI InChI=1S/C18H19NO/c1-18-12-20-17-14(13-6-3-2-4-7-13)8-5-9-15(17)16(18)10-11-19-18/h2-9,16,19H,10-12H2,1H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503052 (CHEMBL4459009) Show SMILES [H][C@@]12CCN(C)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r| Show InChI InChI=1S/C19H22N2/c1-19-14-21(15-8-4-3-5-9-15)18-11-7-6-10-16(18)17(19)12-13-20(19)2/h3-11,17H,12-14H2,1-2H3/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503046 (CHEMBL4473697) Show SMILES [H][C@@]12CCN(C)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r| Show InChI InChI=1S/C19H21NO/c1-19-13-21-18-15(14-7-4-3-5-8-14)9-6-10-16(18)17(19)11-12-20(19)2/h3-10,17H,11-13H2,1-2H3/t17-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503056 (CHEMBL4513930) Show SMILES CC[C@H]1c2c(OC[C@@]1(C)N)ccc1ccccc21 |r| Show InChI InChI=1S/C16H19NO/c1-3-13-15-12-7-5-4-6-11(12)8-9-14(15)18-10-16(13,2)17/h4-9,13H,3,10,17H2,1-2H3/t13-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503047 (CHEMBL4472703) Show SMILES CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r| Show InChI InChI=1S/C14H21NO/c1-4-13-12-9-11(16-3)6-5-10(12)7-8-14(13,2)15/h5-6,9,13H,4,7-8,15H2,1-3H3/t13-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503049 (CHEMBL4447975) Show SMILES [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r| Show InChI InChI=1S/C14H19NO3/c1-14-8-18-12-7-9(16-2)6-11(17-3)13(12)10(14)4-5-15-14/h6-7,10,15H,4-5,8H2,1-3H3/t10-,14+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503061 (CHEMBL4464697) Show SMILES [H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r| Show InChI InChI=1S/C12H14BrNO/c1-12-7-15-11-8(3-2-4-10(11)13)9(12)5-6-14-12/h2-4,9,14H,5-7H2,1H3/t9-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503055 (CHEMBL4530979) Show SMILES CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r| Show InChI InChI=1S/C18H21NO/c1-3-16-15-11-14(13-7-5-4-6-8-13)9-10-17(15)20-12-18(16,2)19/h4-11,16H,3,12,19H2,1-2H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503043 (CHEMBL4528651) Show SMILES CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r| Show InChI InChI=1S/C13H19NO/c1-4-11-10-7-9(2)5-6-12(10)15-8-13(11,3)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503054 (CHEMBL4583909) Show SMILES CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N |r| Show InChI InChI=1S/C16H19NO/c1-3-14-13-9-8-11-6-4-5-7-12(11)15(13)18-10-16(14,2)17/h4-9,14H,3,10,17H2,1-2H3/t14-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503053 (CHEMBL4458099) Show SMILES CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N |r| Show InChI InChI=1S/C13H19NO2/c1-4-11-10-7-9(15-3)5-6-12(10)16-8-13(11,2)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503048 (CHEMBL4457754) Show SMILES [H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r| Show InChI InChI=1S/C18H20N2/c1-18-13-20(14-7-3-2-4-8-14)17-10-6-5-9-15(17)16(18)11-12-19-18/h2-10,16,19H,11-13H2,1H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50503048 (CHEMBL4457754) Show SMILES [H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r| Show InChI InChI=1S/C18H20N2/c1-18-13-20(14-7-3-2-4-8-14)17-10-6-5-9-15(17)16(18)11-12-19-18/h2-10,16,19H,11-13H2,1H3/t16-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Twin Cities Curated by ChEMBL					Assay Description Displacement of [3H]-Way100635 from human recombinant 5-HT1A expressed in stable CHO cells after 90 mins by microbeta scintillation counting method				ACS Med Chem Lett 10: 1436-1442 (2019) Article DOI: 10.1021/acsmedchemlett.9b00225 BindingDB Entry DOI: 10.7270/Q2DF6VGQ
					More data for this Ligand-Target Pair