BDBM50162173 6-(2-fluorophenyl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl 2-pyridylmethyl ether::CHEMBL178831

SMILES: Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12

InChI Key: InChIKey=YZRXMMCBUVDBFF-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 = 50162173   

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))	BDBM50162173 (6-(2-fluorophenyl)-4,5,7,8-tetraazatetracyclo[9.2....) Show SMILES Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.11,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.69,;2.92,2.59,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.96,;-3.71,2.64,;-3.06,1.21,;-4.64,1.21,;-3.69,-.35,;-5.03,.42,;-5.03,1.96,;-2.36,.42,;-1.04,-.35,;-1.04,-1.89,;.3,-2.66,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.42,;.29,1.96,)| Show InChI InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.540	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))	BDBM50162173 (6-(2-fluorophenyl)-4,5,7,8-tetraazatetracyclo[9.2....) Show SMILES Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.11,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.69,;2.92,2.59,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.96,;-3.71,2.64,;-3.06,1.21,;-4.64,1.21,;-3.69,-.35,;-5.03,.42,;-5.03,1.96,;-2.36,.42,;-1.04,-.35,;-1.04,-1.89,;.3,-2.66,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.42,;.29,1.96,)| Show InChI InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	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))	BDBM50162173 (6-(2-fluorophenyl)-4,5,7,8-tetraazatetracyclo[9.2....) Show SMILES Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.11,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.69,;2.92,2.59,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.96,;-3.71,2.64,;-3.06,1.21,;-4.64,1.21,;-3.69,-.35,;-5.03,.42,;-5.03,1.96,;-2.36,.42,;-1.04,-.35,;-1.04,-1.89,;.3,-2.66,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.42,;.29,1.96,)| Show InChI InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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))	BDBM50162173 (6-(2-fluorophenyl)-4,5,7,8-tetraazatetracyclo[9.2....) Show SMILES Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.11,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.69,;2.92,2.59,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.96,;-3.71,2.64,;-3.06,1.21,;-4.64,1.21,;-3.69,-.35,;-5.03,.42,;-5.03,1.96,;-2.36,.42,;-1.04,-.35,;-1.04,-1.89,;.3,-2.66,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.42,;.29,1.96,)| Show InChI InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	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