Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50036093   

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 (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 DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates...				J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50005269 (2-(4-Benzyloxy-phenyl)-1-methyl-ethylamine | CHEMB...) Show SMILES CC(N)Cc1ccc(OC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H17NO2/c1-12(17)11-13-7-9-15(10-8-13)19-16(18)14-5-3-2-4-6-14/h2-10,12H,11,17H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates...				J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50005266 (1-Methyl-2-(4-propyl-phenyl)-ethylamine | CHEMBL16...) Show SMILES CCCc1ccc(CC(C)N)cc1 Show InChI InChI=1S/C12H19N/c1-3-4-11-5-7-12(8-6-11)9-10(2)13/h5-8,10H,3-4,9,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates...				J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50005246 (1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...) Show SMILES CC(N)Cc1ccccc1 Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates...				J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50005248 (1-Methyl-2-p-tolyl-ethylamine | CHEMBL166183) Show SMILES CC(N)Cc1ccc(C)cc1 Show InChI InChI=1S/C10H15N/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates...				J Med Chem 35: 734-40 (1992) BindingDB Entry DOI: 10.7270/Q29K4BV4
					More data for this Ligand-Target Pair