BDBM50162208 9-(3-cyclopropylmethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene::CHEMBL179558

SMILES: C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1

InChI Key: InChIKey=SJAGJFDQMIAULO-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 = 50162208   

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))	BDBM50162208 (9-(3-cyclopropylmethoxy-2-pyridyloxy)-6-phenyl-4,5...) Show SMILES C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1 |(-2.97,-4.38,;-1.62,-3.62,;-.29,-4.38,;-.29,-5.92,;1.03,-6.7,;2.36,-5.92,;2.36,-4.38,;1.03,-3.62,;1.03,-2.08,;-.29,-1.31,;-.29,.22,;1.03,.97,;1.03,2.53,;2.17,3.58,;1.57,4.93,;.03,4.79,;-.29,3.28,;-1.61,2.51,;-2.95,3.2,;-2.32,1.76,;-3.88,1.76,;-2.95,.2,;-4.28,.97,;-4.28,2.51,;-1.61,.97,;3.69,3.28,;4.69,4.44,;6.21,4.16,;6.7,2.69,;5.69,1.53,;4.17,1.83,;-4.28,-3.62,;-5.07,-2.27,;-5.83,-3.61,)| Show InChI InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	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))	BDBM50162208 (9-(3-cyclopropylmethoxy-2-pyridyloxy)-6-phenyl-4,5...) Show SMILES C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1 |(-2.97,-4.38,;-1.62,-3.62,;-.29,-4.38,;-.29,-5.92,;1.03,-6.7,;2.36,-5.92,;2.36,-4.38,;1.03,-3.62,;1.03,-2.08,;-.29,-1.31,;-.29,.22,;1.03,.97,;1.03,2.53,;2.17,3.58,;1.57,4.93,;.03,4.79,;-.29,3.28,;-1.61,2.51,;-2.95,3.2,;-2.32,1.76,;-3.88,1.76,;-2.95,.2,;-4.28,.97,;-4.28,2.51,;-1.61,.97,;3.69,3.28,;4.69,4.44,;6.21,4.16,;6.7,2.69,;5.69,1.53,;4.17,1.83,;-4.28,-3.62,;-5.07,-2.27,;-5.83,-3.61,)| Show InChI InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	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 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))	BDBM50162208 (9-(3-cyclopropylmethoxy-2-pyridyloxy)-6-phenyl-4,5...) Show SMILES C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1 |(-2.97,-4.38,;-1.62,-3.62,;-.29,-4.38,;-.29,-5.92,;1.03,-6.7,;2.36,-5.92,;2.36,-4.38,;1.03,-3.62,;1.03,-2.08,;-.29,-1.31,;-.29,.22,;1.03,.97,;1.03,2.53,;2.17,3.58,;1.57,4.93,;.03,4.79,;-.29,3.28,;-1.61,2.51,;-2.95,3.2,;-2.32,1.76,;-3.88,1.76,;-2.95,.2,;-4.28,.97,;-4.28,2.51,;-1.61,.97,;3.69,3.28,;4.69,4.44,;6.21,4.16,;6.7,2.69,;5.69,1.53,;4.17,1.83,;-4.28,-3.62,;-5.07,-2.27,;-5.83,-3.61,)| Show InChI InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	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))	BDBM50162208 (9-(3-cyclopropylmethoxy-2-pyridyloxy)-6-phenyl-4,5...) Show SMILES C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1 |(-2.97,-4.38,;-1.62,-3.62,;-.29,-4.38,;-.29,-5.92,;1.03,-6.7,;2.36,-5.92,;2.36,-4.38,;1.03,-3.62,;1.03,-2.08,;-.29,-1.31,;-.29,.22,;1.03,.97,;1.03,2.53,;2.17,3.58,;1.57,4.93,;.03,4.79,;-.29,3.28,;-1.61,2.51,;-2.95,3.2,;-2.32,1.76,;-3.88,1.76,;-2.95,.2,;-4.28,.97,;-4.28,2.51,;-1.61,.97,;3.69,3.28,;4.69,4.44,;6.21,4.16,;6.7,2.69,;5.69,1.53,;4.17,1.83,;-4.28,-3.62,;-5.07,-2.27,;-5.83,-3.61,)| Show InChI InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.90	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 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