Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50005070   

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))	BDBM50487904 (CHEMBL2260566) Show SMILES CC(Oc1cncc(n1)N1CCNCC1)c1cccc(F)c1 Show InChI InChI=1S/C16H19FN4O/c1-12(13-3-2-4-14(17)9-13)22-16-11-19-10-15(20-16)21-7-5-18-6-8-21/h2-4,9-12,18H,5-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Homo sapiens (human) 5-HT2C receptor				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50487901 (CHEMBL2260569) Show SMILES CC1NCCc2c(C)c3ccc(Cl)c(C)c3n12 Show InChI InChI=1S/C14H17ClN2/c1-8-11-4-5-12(15)9(2)14(11)17-10(3)16-7-6-13(8)17/h4-5,10,16H,6-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor assessed as calcium mobilization by cell based assay				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50487902 (CHEMBL2260565) Show SMILES CCOc1ccc2n3CCCc3c(C[C@H](C)N)c2c1 |r| Show InChI InChI=1S/C16H22N2O/c1-3-19-12-6-7-16-14(10-12)13(9-11(2)17)15-5-4-8-18(15)16/h6-7,10-11H,3-5,8-9,17H2,1-2H3/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor assessed as 5-HT-induced calcium mobilization by cell based assay				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50487903 (CHEMBL2260567) Show SMILES Clc1ccc(c(Cl)c1)-c1ccc(cc1)-c1cc2[C@@H]3CNC[C@@H]3N3CCCSc(c1)c23 |r| Show InChI InChI=1S/C25H22Cl2N2S/c26-18-6-7-19(22(27)12-18)16-4-2-15(3-5-16)17-10-20-21-13-28-14-23(21)29-8-1-9-30-24(11-17)25(20)29/h2-7,10-12,21,23,28H,1,8-9,13-14H2/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50314617 ((2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6...) Show SMILES C[C@H]1CNC[C@@H](C)N1C(=O)OCc1c(F)cc(OCc2c(C)noc2C)cc1F |r| Show InChI InChI=1S/C20H25F2N3O4/c1-11-7-23-8-12(2)25(11)20(26)28-10-17-18(21)5-15(6-19(17)22)27-9-16-13(3)24-29-14(16)4/h5-6,11-12,23H,7-10H2,1-4H3/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor assessed as 5-HT-induced calcium mobilization by cell based assay				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor assessed as 5-HT-induced phosphoinositide hydrolysis by cell based assay				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50487905 (CHEMBL2260568) Show SMILES C1C[C@H]2[C@@H](C1)N1CCNCC3CCCC2C13 |r| Show InChI InChI=1S/C14H24N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h10-15H,1-9H2/t10?,11-,12?,13-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50375450 (CHEMBL407909 | YM-348) Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1 Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2A receptor assessed as 5-HT-induced phosphoinositide hydrolysis by cell based assay				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50091831 ((R)-8,9-Dichloro-2,3,4,4a-tetrahydro-1H,6H-pyrazin...) Show SMILES Clc1cc2NC(=O)[C@H]3CNCCN3c2cc1Cl Show InChI InChI=1S/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Homo sapiens (human) 5-HT2C receptor assessed as inositol formation by cell based assay				Citation and Details Article DOI: 10.1007/s00044-011-9615-3 BindingDB Entry DOI: 10.7270/Q2SF3028
					More data for this Ligand-Target Pair