Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50041248   

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))	BDBM50407992 (CHEMBL148346) Show SMILES Cc1coc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H15N3O2/c1-11-10-22-16-8-15-12(7-14(11)16)4-6-20(15)17(21)19-13-3-2-5-18-9-13/h2-3,5,7-10H,4,6H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50060417 (5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...) Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407993 (CHEMBL148385) Show SMILES CCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C18H18N4O/c1-2-21-8-5-13-11-17-14(10-16(13)21)6-9-22(17)18(23)20-15-4-3-7-19-12-15/h3-5,7-8,10-12H,2,6,9H2,1H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407991 (CHEMBL343666) Show SMILES O=C(Nc1cccnc1)N1CCc2cc3sccc3cc12 Show InChI InChI=1S/C16H13N3OS/c20-16(18-13-2-1-5-17-10-13)19-6-3-11-9-15-12(4-7-21-15)8-14(11)19/h1-2,4-5,7-10H,3,6H2,(H,18,20)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50408001 (CHEMBL147820) Show SMILES CC(C)n1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H20N4O/c1-13(2)22-8-5-14-11-18-15(10-17(14)22)6-9-23(18)19(24)21-16-4-3-7-20-12-16/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407997 (CHEMBL2112859) Show SMILES CCCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H20N4O/c1-2-8-22-9-5-14-12-18-15(11-17(14)22)6-10-23(18)19(24)21-16-4-3-7-20-13-16/h3-5,7,9,11-13H,2,6,8,10H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407399 (CHEMBL315223) Show SMILES Cn1ccc2c3CCN(C(=O)Nc4cccnc4)c3ccc12 Show InChI InChI=1S/C17H16N4O/c1-20-9-6-13-14-7-10-21(16(14)5-4-15(13)20)17(22)19-12-3-2-8-18-11-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407994 (CHEMBL343455) Show SMILES Cc1cc2cc3N(CCc3cc2n1C)C(=O)Nc1cccnc1 Show InChI InChI=1S/C18H18N4O/c1-12-8-14-10-17-13(9-16(14)21(12)2)5-7-22(17)18(23)20-15-4-3-6-19-11-15/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407999 (CHEMBL356146) Show SMILES O=C(Nc1cccnc1)N1CCc2cc3n(Cc4ccccc4)ccc3cc12 Show InChI InChI=1S/C23H20N4O/c28-23(25-20-7-4-10-24-15-20)27-12-9-19-13-21-18(14-22(19)27)8-11-26(21)16-17-5-2-1-3-6-17/h1-8,10-11,13-15H,9,12,16H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407995 (CHEMBL147368) Show SMILES Cn1ccc2ccc3N(CCc3c12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H16N4O/c1-20-9-6-12-4-5-15-14(16(12)20)7-10-21(15)17(22)19-13-3-2-8-18-11-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407998 (CHEMBL144567) Show SMILES CN1CCc2cc3N(CCc3cc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H18N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50408003 (CHEMBL148347) Show SMILES Cc1cn(C)c2cc3CCN(C(=O)Nc4ccccc4)c3cc12 Show InChI InChI=1S/C19H19N3O/c1-13-12-21(2)18-10-14-8-9-22(17(14)11-16(13)18)19(23)20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50408000 (CHEMBL357870) Show SMILES O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc12 Show InChI InChI=1S/C16H14N4O/c21-16(19-13-2-1-5-17-10-13)20-7-4-12-8-14-11(3-6-18-14)9-15(12)20/h1-3,5-6,8-10,18H,4,7H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50407996 (CHEMBL342776) Show SMILES Cn1ccc2c3N(CCc3ccc12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H16N4O/c1-20-9-7-14-15(20)5-4-12-6-10-21(16(12)14)17(22)19-13-3-2-8-18-11-13/h2-5,7-9,11H,6,10H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50408002 (CHEMBL146830) Show SMILES Cn1ccc2cc3CCN(C(=O)Nc4cccnc4)c3cc12 Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-9-13-5-8-21(16(13)10-15(12)20)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293				J Med Chem 39: 4966-77 (1997) Article DOI: 10.1021/jm960571v BindingDB Entry DOI: 10.7270/Q2S75HJF
					More data for this Ligand-Target Pair