Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'czajkowski' and Initial = 'c'   

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-1 [G157C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-55.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	-51.8	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [V202C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.10	-49.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [T162C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	-49.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [G200C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.10	-48.1	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,D95C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.10	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.30	-47.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R224C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.30	-48.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R183C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.70	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,L179C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.80	-48.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [A160C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R233C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.10	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T165C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T120C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	4.40	-47.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6 [20-453]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26267 (RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-] Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.10	-46.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2 [29-451]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	-46.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.5	-46.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.10	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [S204C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.80	-46.0	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T181C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,A118C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.20	-45.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-200],P14867[176-456] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9.60	-45.8	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R171C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,M169C] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	13.8	-44.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [F99C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26263 (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...) Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21 Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,M169C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	15.5	-44.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-200],P14867[176-456] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22.4	-43.7	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [T162C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33.8	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	34.9	-42.6	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R171C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	35.8	-42.5	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R183C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	38	-42.4	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	41.2	-42.2	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,L179C] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	46.3	-41.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [S204C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	57.9	-41.3	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [A160C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	60.4	-41.2	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	61.9	-40.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	62.4	-41.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R233C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	62.6	-41.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,L179C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	63.1	-41.1	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R233C] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	67	-40.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R224C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	67.4	-40.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,D95C] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	67.6	-40.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467] (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	67.8	-40.9	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,R224C] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	70.9	-40.8	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467,T165C] (Homo sapiens (Human))	BDBM26265 ((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...) Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12 Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	71.9	-40.8	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Wisconsin at Madison					Assay Description Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...				J Med Chem 51: 7243-52 (2008) Article DOI: 10.1021/jm800889m BindingDB Entry DOI: 10.7270/Q2R78CJM
					More data for this Ligand-Target Pair

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