Compile Data Set for Download or QSAR

Found 1994 hits with Last Name = 'buettelmann' and Initial = 'b'   

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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50311061 (3-(3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazo...) Show SMILES Cc1nc(no1)-c1ncn-2c1Cn1ncnc1-c1cc(F)ccc-21 Show InChI InChI=1S/C15H10FN7O/c1-8-20-14(21-24-8)13-12-5-23-15(17-6-19-23)10-4-9(16)2-3-11(10)22(12)7-18-13/h2-4,6-7H,5H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50311052 (CHEMBL1079870 | ethyl 3-fluoro-9H-benzo[f]imidazo[...) Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(F)ccc-21 Show InChI InChI=1S/C15H12FN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					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
Integrin 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W66PWZ
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50311049 (10-chloro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1ccccc-21 Show InChI InChI=1S/C12H8ClN5/c13-11-10-5-18-12(14-6-16-18)8-3-1-2-4-9(8)17(10)7-15-11/h1-4,6-7H,5H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50311048 (10-chloro-3-fluoro-9H-benzo[f]imidazo[1,5-a][1,2,4...) Show SMILES Fc1ccc-2c(c1)-c1ncnn1Cc1c(Cl)ncn-21 Show InChI InChI=1S/C12H7ClFN5/c13-11-10-4-19-12(15-5-17-19)8-3-7(14)1-2-9(8)18(10)6-16-11/h1-3,5-6H,4H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from human GABAalpha5beta3gamma2 receptor expressed in insect SF9 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					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))	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
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))	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))	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))	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))	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
Integrin alpha-5 (Homo sapiens (Human))	BDBM513334 (US11091471, Example RE-B) Show SMILES Cc1onc(c1COc1ccc(nn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W66PWZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM513240 (6-((5-methyl-3-(6-methylpyridazin-3-yl)isoxazol-4-...) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)nn1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W66PWZ
					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
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))	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))	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
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))	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
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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50310938 (5-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,...) Show SMILES Cc1cc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C18H15BrN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor				Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR
					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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50310948 (5-((3-chloro-10-methyl-9H-benzo[f]imidazo[1,5-a][1...) Show SMILES Cc1cc(Cc2nc3-c4cc(Cl)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C18H15ClN6O/c1-10-5-13(26-23-10)7-17-21-18-14-6-12(19)3-4-15(14)24-9-20-11(2)16(24)8-25(18)22-17/h3-6,9H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor				Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR
					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))	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))	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))	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
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))	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))	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))	BDBM133563 (US8846719, 255) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)Nc1cnn(C)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClN5O3/c1-13-18(20(26-30-13)14-3-6-16(22)7-4-14)12-29-19-8-5-15(9-23-19)21(28)25-17-10-24-27(2)11-17/h3-11H,12H2,1-2H3,(H,25,28)	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))	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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50310947 (5-((3,10-dimethyl-9H-benzo[f]imidazo[1,5-a][1,2,4]...) Show SMILES Cc1cc(Cc2nc3-c4cc(C)ccc4-n4cnc(C)c4Cn3n2)on1 Show InChI InChI=1S/C19H18N6O/c1-11-4-5-16-15(6-11)19-21-18(8-14-7-12(2)23-26-14)22-25(19)9-17-13(3)20-10-24(16)17/h4-7,10H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor				Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR
					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
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133564 (US8846719, 256) 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-/m1/s1	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-1 (Homo sapiens (Human))	BDBM513241 (N-((1S)-1-(hydroxymethyl)butyl)-6-((5-methyl-3-(6-...) Show SMILES CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(C)nn2)nc1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Electrophysiological experiments were performed on days 3 to 5 after the micro-injection of mRNA. During the experiment the oocytes were constantly s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W66PWZ
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50310937 (5-((3-bromo-10-methyl-9H-benzo[f]imidazo[1,5-a][1,...) Show SMILES Cc1noc(Cc2nc3-c4cc(Br)ccc4-n4cnc(C)c4Cn3n2)n1 Show InChI InChI=1S/C17H14BrN7O/c1-9-14-7-25-17(21-15(22-25)6-16-20-10(2)23-26-16)12-5-11(18)3-4-13(12)24(14)8-19-9/h3-5,8H,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAAalpha5beta3gamma2 receptor				Bioorg Med Chem Lett 19: 5958-61 (2009) Article DOI: 10.1016/j.bmcl.2009.08.027 BindingDB Entry DOI: 10.7270/Q2R78FBR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133559 (US11091471, Example RO-251 | US8846719, 251) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O4/c1-15-3-5-17(6-4-15)22-20(16(2)30-26-22)14-29-21-8-7-18(13-24-21)23(27)25-19-9-11-28-12-10-19/h3-8,13,19H,9-12,14H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.900	-48.0	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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50311074 (4-fluoro-10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4...) Show SMILES Cc1ncn-2c1Cn1ncnc1-c1c(F)cccc-21 Show InChI InChI=1S/C13H10FN5/c1-8-11-5-19-13(15-6-17-19)12-9(14)3-2-4-10(12)18(11)7-16-8/h2-4,6-7H,5H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133501 (US8846719, 190) Show SMILES CC(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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	-47.8	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

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