BDBM26265 (5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate::ESZ::Estorra::Eszopiclone::Lunesta::cid_5735

SMILES: CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12

InChI Key: InChIKey=DZCUZLPTNNFSNM-UHFFFAOYSA-N

Data: 28 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 26265   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
GABAA Receptor Mutant, alpha-1 (T206C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	-12.4	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (Chimera) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	22.4	-10.4	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
GABAA Receptor Mutant, alpha-1 (T162C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	33.8	-10.2	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
GABAA Receptor Mutant, alpha-1 (S205C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	34.9	-10.2	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (L140C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	46.3	-10.0	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
GABAA Receptor, alpha-1, beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	50.1	-9.85	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
GABAA Receptor Mutant, alpha-1 (S204C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	57.9	-9.87	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
GABAA Receptor Mutant, alpha-1 (A160C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	60.4	-9.84	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
GABAA Receptor Mutant, alpha-1 (V211C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	62.4	-9.82	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R194C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	67	-9.78	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R185C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	70.9	-9.75	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T126C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	71.9	-9.74	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T81C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	75.2	-9.71	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (D56C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	82.4	-9.66	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
GABAA Receptor, alpha-5, beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	102	-9.44	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (M130C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	102	-9.53	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R132C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	110	-9.49	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
GABAA Receptor, alpha-2, beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	114	-9.37	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
GABAA Receptor Mutant, alpha-1 (G200C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	119	-9.44	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
GABAA Receptor, alpha-3, beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	162	-9.16	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R144C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	174	-9.21	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
GABAA Receptor Mutant, alpha-1 (V202C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	249	-9.00	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (A79C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	393	-8.73	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
GABAA Receptor Mutant, alpha-1 (F99C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	407	-8.62	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
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T142C) (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	503	-8.59	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
GABAA Receptor Mutant, alpha-1 (G157C), beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	-7.74	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
GABAA Receptor, alpha-4, beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+4	>-6.51	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
GABAA Receptor, alpha-6, beta-2, gamma-2 (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 DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.50E+4	>-6.51	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
Sphingosine 1-phosphate receptor 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2XD102D
					More data for this Ligand-Target Pair