Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50036343   

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))	BDBM50451023 (MESULERGINE) Show SMILES [H][C@@]12Cc3cn(C)c4cccc(c34)[C@@]1([H])C[C@H](CNS(=O)(=O)N(C)C)CN2C |r| Show InChI InChI=1S/C19H28N4O2S/c1-21(2)26(24,25)20-10-13-8-16-15-6-5-7-17-19(15)14(12-23(17)4)9-18(16)22(3)11-13/h5-7,12-13,16,18,20H,8-11H2,1-4H3/t13-,16-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description The compound was tested for their binding affinity towards 5-hydroxytryptamine 2C receptor				J Med Chem 38: 2692-704 (1995) BindingDB Entry DOI: 10.7270/Q27H1K7H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50031935 (8-Methoxy-6-(4-methyl-piperazin-1-yl)-benzo[k]phen...) Show SMILES COc1cc2c(nc3ccccc3c2c2ccccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H23N3O/c1-25-11-13-26(14-12-25)23-19-15-21(27-2)16-7-3-4-8-17(16)22(19)18-9-5-6-10-20(18)24-23/h3-10,15H,11-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description The compound was tested for their binding affinity towards 5-hydroxytryptamine 2C receptor				J Med Chem 38: 2692-704 (1995) BindingDB Entry DOI: 10.7270/Q27H1K7H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50031925 (6-(4-Methyl-piperazin-1-yl)-7,8-dihydro-benzo[k]ph...) Show SMILES CN1CCN(CC1)c1nc2ccccc2c-2c1CCc1ccccc-21 Show InChI InChI=1S/C22H23N3/c1-24-12-14-25(15-13-24)22-19-11-10-16-6-2-3-7-17(16)21(19)18-8-4-5-9-20(18)23-22/h2-9H,10-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description The compound was tested for their binding affinity towards 5-hydroxytryptamine 2C receptor				J Med Chem 38: 2692-704 (1995) BindingDB Entry DOI: 10.7270/Q27H1K7H
					More data for this Ligand-Target Pair