Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50049308   

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))	BDBM50238747 (CHEMBL4064809) Show SMILES Cl.COc1ccc(F)cc1C1CC1CNCc1ccccc1C#N Show InChI InChI=1S/C19H19FN2O.ClH/c1-23-19-7-6-16(20)9-18(19)17-8-15(17)12-22-11-14-5-3-2-4-13(14)10-21;/h2-7,9,15,17,22H,8,11-12H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	245	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238755 (CHEMBL4064935) Show SMILES Cl.COc1ccc(F)cc1C1CC1CNCc1cccc2cccnc12 Show InChI InChI=1S/C21H21FN2O.ClH/c1-25-20-8-7-17(22)11-19(20)18-10-16(18)13-23-12-15-5-2-4-14-6-3-9-24-21(14)15;/h2-9,11,16,18,23H,10,12-13H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238749 (CHEMBL4066538) Show SMILES Cl.COc1ccccc1C(C)NCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C20H24FNO2.ClH/c1-13(16-6-4-5-7-19(16)23-2)22-12-14-10-17(14)18-11-15(21)8-9-20(18)24-3;/h4-9,11,13-14,17,22H,10,12H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238752 (CHEMBL4093447) Show SMILES Cl.COc1cccc(CNC[C@@H]2C[C@H]2c2cc(F)ccc2OC)c1 |r| Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-16-5-3-4-13(8-16)11-21-12-14-9-17(14)18-10-15(20)6-7-19(18)23-2;/h3-8,10,14,17,21H,9,11-12H2,1-2H3;1H/t14-,17+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238753 (CHEMBL4063893) Show SMILES Cl.COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C21H24FNO2.ClH/c1-3-10-25-21-9-8-17(22)12-19(21)18-11-16(18)14-23-13-15-6-4-5-7-20(15)24-2;/h3-9,12,16,18,23H,1,10-11,13-14H2,2H3;1H/t16-,18+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238754 (CHEMBL4078425) Show SMILES Cl.COc1ccc(CNC[C@H]2C[C@@H]2c2cc(F)ccc2OC)cc1 |r| Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-16-6-3-13(4-7-16)11-21-12-14-9-17(14)18-10-15(20)5-8-19(18)23-2;/h3-8,10,14,17,21H,9,11-12H2,1-2H3;1H/t14-,17+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238744 (CHEMBL4082227) Show SMILES Cl.CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC |r| Show InChI InChI=1S/C12H16FNO.ClH/c1-14-7-8-5-10(8)11-6-9(13)3-4-12(11)15-2;/h3-4,6,8,10,14H,5,7H2,1-2H3;1H/t8-,10+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238756 (CHEMBL4067525) Show SMILES Cl.COc1cccc(CNC[C@H]2C[C@@H]2c2cc(F)ccc2OC)c1 |r| Show InChI InChI=1S/C19H22FNO2.ClH/c1-22-16-5-3-4-13(8-16)11-21-12-14-9-17(14)18-10-15(20)6-7-19(18)23-2;/h3-8,10,14,17,21H,9,11-12H2,1-2H3;1H/t14-,17+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	231	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238760 (CHEMBL4079976) Show SMILES Cl.COc1ccccc1CN(C)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C20H24FNO2.ClH/c1-22(12-14-6-4-5-7-19(14)23-2)13-15-10-17(15)18-11-16(21)8-9-20(18)24-3;/h4-9,11,15,17H,10,12-13H2,1-3H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238761 (CHEMBL4095562) Show SMILES Cl.COc1ccc(F)cc1[C@@H]1C[C@H]1CNCc1cccs1 |r| Show InChI InChI=1S/C16H18FNOS.ClH/c1-19-16-5-4-12(17)8-15(16)14-7-11(14)9-18-10-13-3-2-6-20-13;/h2-6,8,11,14,18H,7,9-10H2,1H3;1H/t11-,14+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	309	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238745 (CHEMBL4103313) Show SMILES Cl.COc1ccsc1CNCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C17H20FNO2S.ClH/c1-20-15-4-3-12(18)8-14(15)13-7-11(13)9-19-10-17-16(21-2)5-6-22-17;/h3-6,8,11,13,19H,7,9-10H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238746 (CHEMBL4070259) Show SMILES Cl.COc1cscc1CNCC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C17H20FNO2S.ClH/c1-20-16-4-3-13(18)6-15(16)14-5-11(14)7-19-8-12-9-22-10-17(12)21-2;/h3-4,6,9-11,14,19H,5,7-8H2,1-2H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	228	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238751 (CHEMBL4094164) Show SMILES COc1ccc(F)cc1C1CC1CNCc1cccnc1OC Show InChI InChI=1S/C18H21FN2O2/c1-22-17-6-5-14(19)9-16(17)15-8-13(15)11-20-10-12-4-3-7-21-18(12)23-2/h3-7,9,13,15,20H,8,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	437	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238759 (CHEMBL4073529) Show SMILES Cl.COc1ccc(F)cc1C1CC1CNCc1cccc2ccsc12 Show InChI InChI=1S/C20H20FNOS.ClH/c1-23-19-6-5-16(21)10-18(19)17-9-15(17)12-22-11-14-4-2-3-13-7-8-24-20(13)14;/h2-8,10,15,17,22H,9,11-12H2,1H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	777	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50238748 (CHEMBL4098721) Show SMILES Cl.CNC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C |r| Show InChI InChI=1S/C14H18FNO.ClH/c1-3-6-17-14-5-4-11(15)8-13(14)12-7-10(12)9-16-2;/h3-5,8,10,12,16H,1,6-7,9H2,2H3;1H/t10-,12+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at tTA containing TEV cleavage site-fused 5-HT2C-INI receptor isoform (unknown origin) expressed in TEV-fused beta-arrestin2 express...				J Med Chem 60: 6273-6288 (2017) Article DOI: 10.1021/acs.jmedchem.7b00584 BindingDB Entry DOI: 10.7270/Q2MK6G5C
					More data for this Ligand-Target Pair