Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50006677   

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 2C (Homo sapiens (Human))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Agonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Agonistic activity at cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50052339 (2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES NCCc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Antagonistic activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]-rauwolscine as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Agonistic activity at cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Antagonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [3H]-mesulergine as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of [3H]- ketanserin labelled towards Rat cortical 5-hydroxytryptamine 2A receptor using radioligand binding assay				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM21342 ((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of [3H]- -8-OH-DPAT labelled towards Rat Hippocampal 5-hydroxytryptamine 1A receptor using radioligand binding assay				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50052338 (2-(2,3,6,7-Tetrahydro-benzo[1,2-b;4,5-b']difuran-4...) Show SMILES NCCc1c2CCOc2cc2CCOc12 Show InChI InChI=1S/C12H15NO2/c13-4-1-10-9-3-6-14-11(9)7-8-2-5-15-12(8)10/h7H,1-6,13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50005257 ((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...) Show SMILES COc1cc(CC(C)N)c(OC)cc1Br Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Antagonistic activity at cloned human 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50052337 (2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50005257 ((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...) Show SMILES COc1cc(CC(C)N)c(OC)cc1Br Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50052336 (1-Methyl-2-(2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']...) Show SMILES CC(N)Cc1c2CCOc2cc2CCOc12 Show InChI InChI=1S/C13H17NO2/c1-8(14)6-11-10-3-5-15-12(10)7-9-2-4-16-13(9)11/h7-8H,2-6,14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat hippocampal 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50052339 (2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...) Show SMILES NCCc1c2CCOc2c(Br)c2CCOc12 Show InChI InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50052336 (1-Methyl-2-(2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']...) Show SMILES CC(N)Cc1c2CCOc2cc2CCOc12 Show InChI InChI=1S/C13H17NO2/c1-8(14)6-11-10-3-5-15-12(10)7-9-2-4-16-13(9)11/h7-8H,2-6,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50052338 (2-(2,3,6,7-Tetrahydro-benzo[1,2-b;4,5-b']difuran-4...) Show SMILES NCCc1c2CCOc2cc2CCOc12 Show InChI InChI=1S/C12H15NO2/c13-4-1-10-9-3-6-14-11(9)7-8-2-5-15-12(8)10/h7H,1-6,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Binding affinity of the compound towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]-ketanserin as radioligand				J Med Chem 39: 2953-61 (1996) Article DOI: 10.1021/jm960199j BindingDB Entry DOI: 10.7270/Q28914ZS
					More data for this Ligand-Target Pair