BDBM50162191 6-chloro-3-pyridazinyl 6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl ether::CHEMBL362409

SMILES: Clc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1

InChI Key: InChIKey=QCQSTOYKSWTFNN-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50162191   

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
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162191 (6-chloro-3-pyridazinyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Clc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1 |(.35,-8.56,;.35,-7,;-.98,-6.24,;-.98,-4.71,;.35,-3.95,;.35,-2.42,;-.98,-1.64,;-.98,-.1,;.34,.67,;.34,2.21,;1.5,3.29,;.87,4.65,;-.65,4.49,;-.98,2.98,;-2.31,2.21,;-3.66,2.89,;-3.02,1.44,;-4.6,1.44,;-3.65,-.1,;-4.98,.67,;-4.98,2.21,;-2.31,.67,;3.02,2.97,;4.03,4.15,;5.54,3.85,;6.04,2.38,;5.03,1.23,;3.52,1.54,;1.67,-4.71,;1.68,-6.24,)| Show InChI InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162191 (6-chloro-3-pyridazinyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Clc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1 |(.35,-8.56,;.35,-7,;-.98,-6.24,;-.98,-4.71,;.35,-3.95,;.35,-2.42,;-.98,-1.64,;-.98,-.1,;.34,.67,;.34,2.21,;1.5,3.29,;.87,4.65,;-.65,4.49,;-.98,2.98,;-2.31,2.21,;-3.66,2.89,;-3.02,1.44,;-4.6,1.44,;-3.65,-.1,;-4.98,.67,;-4.98,2.21,;-2.31,.67,;3.02,2.97,;4.03,4.15,;5.54,3.85,;6.04,2.38,;5.03,1.23,;3.52,1.54,;1.67,-4.71,;1.68,-6.24,)| Show InChI InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162191 (6-chloro-3-pyridazinyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Clc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1 |(.35,-8.56,;.35,-7,;-.98,-6.24,;-.98,-4.71,;.35,-3.95,;.35,-2.42,;-.98,-1.64,;-.98,-.1,;.34,.67,;.34,2.21,;1.5,3.29,;.87,4.65,;-.65,4.49,;-.98,2.98,;-2.31,2.21,;-3.66,2.89,;-3.02,1.44,;-4.6,1.44,;-3.65,-.1,;-4.98,.67,;-4.98,2.21,;-2.31,.67,;3.02,2.97,;4.03,4.15,;5.54,3.85,;6.04,2.38,;5.03,1.23,;3.52,1.54,;1.67,-4.71,;1.68,-6.24,)| Show InChI InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric acid A receptor alpha2-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162191 (6-chloro-3-pyridazinyl 6-phenyl-4,5,7,8-tetraazate...) Show SMILES Clc1ccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)nn1 |(.35,-8.56,;.35,-7,;-.98,-6.24,;-.98,-4.71,;.35,-3.95,;.35,-2.42,;-.98,-1.64,;-.98,-.1,;.34,.67,;.34,2.21,;1.5,3.29,;.87,4.65,;-.65,4.49,;-.98,2.98,;-2.31,2.21,;-3.66,2.89,;-3.02,1.44,;-4.6,1.44,;-3.65,-.1,;-4.98,.67,;-4.98,2.21,;-2.31,.67,;3.02,2.97,;4.03,4.15,;5.54,3.85,;6.04,2.38,;5.03,1.23,;3.52,1.54,;1.67,-4.71,;1.68,-6.24,)| Show InChI InChI=1S/C22H19ClN6O/c23-17-11-10-16(24-25-17)12-30-22-19-14-8-6-13(7-9-14)18(19)21-27-26-20(29(21)28-22)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 subtype expressed in L (tk-) cells				J Med Chem 48: 1367-83 (2005) Article DOI: 10.1021/jm040883v BindingDB Entry DOI: 10.7270/Q2ZW1KD2
					More data for this Ligand-Target Pair