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SMILES: Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1

InChI Key: InChIKey=CHQPOBHNDRMXFK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50165326   

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
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50165326 (8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha5-beta3-gamma2 expressed in HEK293 cells				J Med Chem 48: 2936-43 (2005) Article DOI: 10.1021/jm0408722 BindingDB Entry DOI: 10.7270/Q2H994QV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50165326 (8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha1-beta2-gamma2 expressed in HEK293 cells				J Med Chem 48: 2936-43 (2005) Article DOI: 10.1021/jm0408722 BindingDB Entry DOI: 10.7270/Q2H994QV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50165326 (8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50165326 (8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50165326 (8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50165326 (8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...) Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1 Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha2-beta2-gamma2 expressed in HEK293 cells				J Med Chem 48: 2936-43 (2005) Article DOI: 10.1021/jm0408722 BindingDB Entry DOI: 10.7270/Q2H994QV
					More data for this Ligand-Target Pair