BDBM50162250 6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl 3-propyl-2-pyridyl ether::CHEMBL362485

SMILES: CCCc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1

InChI Key: InChIKey=OJVFFZLXISLIFZ-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 = 50162250   

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-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162250 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES CCCc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.64,-3.81,;-3.31,-4.56,;-1.96,-3.81,;-.63,-4.56,;-.63,-6.12,;.71,-6.87,;2.03,-6.12,;2.02,-4.56,;.71,-3.81,;.71,-2.27,;-.63,-1.52,;-.63,.04,;.69,.79,;.69,2.35,;1.85,3.4,;1.22,4.76,;-.3,4.6,;-.63,3.11,;-1.96,2.33,;-3.31,3.03,;-2.65,1.58,;-4.24,1.58,;-3.29,.02,;-4.62,.79,;-4.62,2.33,;-1.96,.79,;3.37,3.1,;3.86,1.65,;5.38,1.35,;6.38,2.51,;5.88,3.96,;4.37,4.27,)| Show InChI InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162250 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES CCCc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.64,-3.81,;-3.31,-4.56,;-1.96,-3.81,;-.63,-4.56,;-.63,-6.12,;.71,-6.87,;2.03,-6.12,;2.02,-4.56,;.71,-3.81,;.71,-2.27,;-.63,-1.52,;-.63,.04,;.69,.79,;.69,2.35,;1.85,3.4,;1.22,4.76,;-.3,4.6,;-.63,3.11,;-1.96,2.33,;-3.31,3.03,;-2.65,1.58,;-4.24,1.58,;-3.29,.02,;-4.62,.79,;-4.62,2.33,;-1.96,.79,;3.37,3.1,;3.86,1.65,;5.38,1.35,;6.38,2.51,;5.88,3.96,;4.37,4.27,)| Show InChI InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	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 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-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162250 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES CCCc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.64,-3.81,;-3.31,-4.56,;-1.96,-3.81,;-.63,-4.56,;-.63,-6.12,;.71,-6.87,;2.03,-6.12,;2.02,-4.56,;.71,-3.81,;.71,-2.27,;-.63,-1.52,;-.63,.04,;.69,.79,;.69,2.35,;1.85,3.4,;1.22,4.76,;-.3,4.6,;-.63,3.11,;-1.96,2.33,;-3.31,3.03,;-2.65,1.58,;-4.24,1.58,;-3.29,.02,;-4.62,.79,;-4.62,2.33,;-1.96,.79,;3.37,3.1,;3.86,1.65,;5.38,1.35,;6.38,2.51,;5.88,3.96,;4.37,4.27,)| Show InChI InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	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
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50162250 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES CCCc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.64,-3.81,;-3.31,-4.56,;-1.96,-3.81,;-.63,-4.56,;-.63,-6.12,;.71,-6.87,;2.03,-6.12,;2.02,-4.56,;.71,-3.81,;.71,-2.27,;-.63,-1.52,;-.63,.04,;.69,.79,;.69,2.35,;1.85,3.4,;1.22,4.76,;-.3,4.6,;-.63,3.11,;-1.96,2.33,;-3.31,3.03,;-2.65,1.58,;-4.24,1.58,;-3.29,.02,;-4.62,.79,;-4.62,2.33,;-1.96,.79,;3.37,3.1,;3.86,1.65,;5.38,1.35,;6.38,2.51,;5.88,3.96,;4.37,4.27,)| Show InChI InChI=1S/C26H27N5O/c1-2-7-17-10-6-15-27-21(17)16-32-26-23-19-13-11-18(12-14-19)22(23)25-29-28-24(31(25)30-26)20-8-4-3-5-9-20/h3-6,8-10,15,18-19H,2,7,11-14,16H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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