Compile Data Set for Download or QSAR

Found 1927 hits with Last Name = 'roe' and Initial = 'r'   

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
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133600 (US8846719, 311) Show SMILES Cc1onc(c1COC(O)Cc1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1 Show InChI InChI=1S/C18H17ClN4O4/c1-10-14(17(23-27-10)15-5-3-12(19)8-22-15)9-26-16(24)6-13-4-2-11(7-21-13)18(20)25/h2-5,7-8,16,24H,6,9H2,1H3,(H2,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.100	-53.1	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50010859 (CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM144227 (US8952008, 4) Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...				J Med Chem 62: 5773-5796 (2019) Article DOI: 10.1021/acs.jmedchem.9b00322 BindingDB Entry DOI: 10.7270/Q2HQ437D
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133597 (US8846719, 308) Show SMILES Cc1onc(c1COC(c1ccc(cn1)C(N)=O)C(F)(F)F)-c1ccc(Cl)cn1 Show InChI InChI=1S/C18H14ClF3N4O3/c1-9-12(15(26-29-9)13-5-3-11(19)7-25-13)8-28-16(18(20,21)22)14-4-2-10(6-24-14)17(23)27/h2-7,16H,8H2,1H3,(H2,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-51.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50318494 (3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 248: 661-70 (1989) BindingDB Entry DOI: 10.7270/Q2RF5SH2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10521 (US8846719, 303) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C19H17ClN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2-3,6-9,14H,4-5,10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10673 (US8846719, 289) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2C2CCC(F)CN2)nc1 Show InChI InChI=1S/C19H25FN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4,7-8,11,14,16,21H,5-6,9-10H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10467 (US8846719, 294) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCC(F)(F)F)-c1ccc(F)cn1 Show InChI InChI=1S/C18H14F4N4O3/c1-10-13(16(26-29-10)14-4-3-12(19)7-23-14)8-28-15-5-2-11(6-24-15)17(27)25-9-18(20,21)22/h2-7H,8-9H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10484 (US11091471, Example RO-301 | US8846719, 301) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C21H21ClN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2-5,10-11,16H,6-9,12H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133596 (US8846719, 306) Show SMILES Cc1onc(c1COC(C1CC1)c1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H19ClN4O3/c1-11-15(18(25-28-11)16-7-5-14(21)9-24-16)10-27-19(12-2-3-12)17-6-4-13(8-23-17)20(22)26/h4-9,12,19H,2-3,10H2,1H3,(H2,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10517 (US8846719, 302) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cn2)nc1 Show InChI InChI=1S/C19H19ClN4O3/c1-11(2)23-19(25)13-4-7-17(22-8-13)26-10-15-12(3)27-24-18(15)16-6-5-14(20)9-21-16/h4-9,11H,10H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	-50.5	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM82056 (CAS_4499 | NSC_4499 | Nisoldipine) Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:16,t:13| Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,16,18H,10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50318494 (3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...) Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8| Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133599 (US8846719, 310) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCSCC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H19ClN4O3S/c1-13-16(19(24-28-13)17-4-3-15(21)11-22-17)12-27-18-5-2-14(10-23-18)20(26)25-6-8-29-9-7-25/h2-5,10-11H,6-9,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274953 (5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitri...) Show SMILES N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI InChI=1S/C20H19N3/c21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15/h1-7,10-11,22-23H,8-9,12,14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10468 (US8846719, 295) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NCCO)-c1ccc(F)cn1 Show InChI InChI=1S/C18H17FN4O4/c1-11-14(17(23-27-11)15-4-3-13(19)9-21-15)10-26-16-5-2-12(8-22-16)18(25)20-6-7-24/h2-5,8-9,24H,6-7,10H2,1H3,(H,20,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10711 (US8846719, 292) Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NCC1CC1 Show InChI InChI=1S/C20H25FN4O3/c1-12-16(19(25-28-12)17-6-5-15(21)10-22-17)11-27-18-7-4-14(9-23-18)20(26)24-8-13-2-3-13/h4,7,9,13,15,17,22H,2-3,5-6,8,10-11H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133578 (US8846719, 270) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2F)nc1 Show InChI InChI=1S/C20H19ClFN3O3/c1-11(2)24-20(26)13-4-7-18(23-9-13)27-10-16-12(3)28-25-19(16)15-6-5-14(21)8-17(15)22/h4-9,11H,10H2,1-3H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10672 (US8846719, 288) Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C21H27FN4O4/c1-13-17(20(26-30-13)18-4-3-15(22)11-23-18)12-29-19-5-2-14(10-24-19)21(27)25-16-6-8-28-9-7-16/h2,5,10,15-16,18,23H,3-4,6-9,11-12H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133594 (US8846719, 299) Show SMILES C[C@H](NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1)C(F)(F)F Show InChI InChI=1S/C19H16F4N4O3/c1-10-14(17(27-30-10)15-5-4-13(20)8-24-15)9-29-16-6-3-12(7-25-16)18(28)26-11(2)19(21,22)23/h3-8,11H,9H2,1-2H3,(H,26,28)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133568 (US8846719, 260) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N[C@H]1CCC[C@@H]1O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10667 (US8846719, 284) Show SMILES Cc1onc(C2CCCCN2)c1COc1ccc(cn1)C(=O)NCCO Show InChI InChI=1S/C18H24N4O4/c1-12-14(17(22-26-12)15-4-2-3-7-19-15)11-25-16-6-5-13(10-21-16)18(24)20-8-9-23/h5-6,10,15,19,23H,2-4,7-9,11H2,1H3,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10483 (US8846719, 297) Show SMILES CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1 Show InChI InChI=1S/C18H17FN4O3/c1-3-20-18(24)12-4-7-16(22-8-12)25-10-14-11(2)26-23-17(14)15-6-5-13(19)9-21-15/h4-9H,3,10H2,1-2H3,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM82056 (CAS_4499 | NSC_4499 | Nisoldipine) Show SMILES COC(=O)C1C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:16,t:13| Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,16,18H,10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133565 (US8846719, 257) Show SMILES C[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1 Show InChI InChI=1S/C20H20ClN3O4/c1-12(10-25)23-20(26)15-5-8-18(22-9-15)27-11-17-13(2)28-24-19(17)14-3-6-16(21)7-4-14/h3-9,12,25H,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 689-94 (1991) BindingDB Entry DOI: 10.7270/Q25T3J06
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Health Science Center Curated by PDSP Ki Database									Life Sci 50: 355-63 (1992) Article DOI: 10.1016/0024-3205(92)90437-t BindingDB Entry DOI: 10.7270/Q2XK8D19
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50336640 ((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...) Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM10677 (US8846719, 290) Show SMILES Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CC1 Show InChI InChI=1S/C19H23FN4O3/c1-11-15(18(24-27-11)16-6-3-13(20)9-21-16)10-26-17-7-2-12(8-22-17)19(25)23-14-4-5-14/h2,7-8,13-14,16,21H,3-6,9-10H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133542 (US8846719, 234) Show SMILES CC(NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O3/c1-12-16(18(26-29-12)14-6-4-3-5-7-14)11-28-17-9-8-15(10-24-17)19(27)25-13(2)20(21,22)23/h3-10,13H,11H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133595 (US8846719, 298) Show SMILES Cc1onc(c1COCc1ccc(cn1)C(N)=O)-c1ccc(F)cn1 Show InChI InChI=1S/C17H15FN4O3/c1-10-14(16(22-25-10)15-5-3-12(18)7-21-15)9-24-8-13-4-2-11(6-20-13)17(19)23/h2-7H,8-9H2,1H3,(H2,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133593 (US8846719, 305) Show SMILES Cc1onc(c1COC(O)C(C)(C)c1ccc(cn1)C(N)=O)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H21ClN4O4/c1-11-14(17(25-29-11)15-6-5-13(21)9-23-15)10-28-19(27)20(2,3)16-7-4-12(8-24-16)18(22)26/h4-9,19,27H,10H2,1-3H3,(H2,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133598 (US8846719, 309) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCOCC1)-c1ccc(Cl)cn1 Show InChI InChI=1S/C20H19ClN4O4/c1-13-16(19(24-29-13)17-4-3-15(21)11-22-17)12-28-18-5-2-14(10-23-18)20(26)25-6-8-27-9-7-25/h2-5,10-11H,6-9,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133581 (US8846719, 273) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccn2)nc1 Show InChI InChI=1S/C19H20N4O3/c1-12(2)22-19(24)14-7-8-17(21-10-14)25-11-15-13(3)26-23-18(15)16-6-4-5-9-20-16/h4-10,12H,11H2,1-3H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM11505 (US8846719, 307) Show SMILES Cc1onc(C2CNCC(Cl)C2)c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H25ClN4O5S/c1-13-17(19(24-30-13)15-8-16(21)11-22-9-15)12-29-18-3-2-14(10-23-18)20(26)25-4-6-31(27,28)7-5-25/h2-3,10,15-16,22H,4-9,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.600	-48.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50512947 (CHEMBL4545044) Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC Show InChI InChI=1S/C23H20FN5O2/c1-4-29-12-25-21-18(10-26-27-22(21)29)13-5-6-19(24)16(7-13)17-8-14-11-28(2)23(30)15(14)9-20(17)31-3/h5-10,12H,4,11H2,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...				J Med Chem 62: 5773-5796 (2019) Article DOI: 10.1021/acs.jmedchem.9b00322 BindingDB Entry DOI: 10.7270/Q2HQ437D
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133507 (US8846719, 196) Show SMILES C[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1 Show InChI InChI=1S/C20H21N3O4/c1-13(11-24)22-20(25)16-8-9-18(21-10-16)26-12-17-14(2)27-23-19(17)15-6-4-3-5-7-15/h3-10,13,24H,11-12H2,1-2H3,(H,22,25)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133433 (US8846719, 119) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cc2)nc1 Show InChI InChI=1S/C20H20ClN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133518 (US8846719, 208) Show SMILES CC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccccc2)nc1 Show InChI InChI=1S/C21H23N3O4/c1-3-17(12-25)23-21(26)16-9-10-19(22-11-16)27-13-18-14(2)28-24-20(18)15-7-5-4-6-8-15/h4-11,17,25H,3,12-13H2,1-2H3,(H,23,26)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133422 (US8846719, 107) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cc2)nc1 Show InChI InChI=1S/C20H20FN3O3/c1-12(2)23-20(25)15-6-9-18(22-10-15)26-11-17-13(3)27-24-19(17)14-4-7-16(21)8-5-14/h4-10,12H,11H2,1-3H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133567 (US8846719, 259) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCC[C@H]1O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3O4/c1-13-17(21(26-30-13)14-5-8-16(23)9-6-14)12-29-20-10-7-15(11-24-20)22(28)25-18-3-2-4-19(18)27/h5-11,18-19,27H,2-4,12H2,1H3,(H,25,28)/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.700	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50373326 (CHEMBL444278) Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human P2Y1 receptor				Bioorg Med Chem Lett 18: 3338-43 (2008) Article DOI: 10.1016/j.bmcl.2008.04.028 BindingDB Entry DOI: 10.7270/Q2X34Z95
					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C (RAT)	BDBM50318493 (3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...) Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10| Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									Life Sci 30: 2191-202 (1982) Article DOI: 10.1016/0024-3205(82)90293-4 BindingDB Entry DOI: 10.7270/Q25719JV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133435 (US8846719, 121) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133561 (US8846719, 253) Show SMILES CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)cc2F)nc1 Show InChI InChI=1S/C21H22FN3O3/c1-12(2)24-21(26)15-6-8-19(23-10-15)27-11-17-14(4)28-25-20(17)16-7-5-13(3)9-18(16)22/h5-10,12H,11H2,1-4H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133424 (US8846719, 109) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H22FN3O4/c1-14-19(21(26-30-14)15-2-5-17(23)6-3-15)13-29-20-7-4-16(12-24-20)22(27)25-18-8-10-28-11-9-18/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-48.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Roche Palo Alto LLC US Patent					Assay Description Radioligand binding assays were carried out in a volume of 200 mL (96-well plates) which contained 100 mL of cell memebranes, [3H]flumazenil at a con...				US Patent US8846719 (2014) BindingDB Entry DOI: 10.7270/Q2V986RV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1927 total )  |  Next  |  Last  >>

Jump to: