BDBM50143129 6-phenyl-4,5,7,8-tetraazatetracyclo[9.3.2.02,10.03,7]hexadeca-2(10),3,5,8-tetraen-9-yl 2-pyridylmethyl ether::CHEMBL53587

SMILES: C(Oc1nn2c(nnc2c2C3CCC(CCC3)c12)-c1ccccc1)c1ccccn1

InChI Key: InChIKey=XXVQXGKSBMSCHX-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 = 50143129   

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))	BDBM50143129 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.3.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CCC3)c12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50143129 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.3.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CCC3)c12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50143129 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.3.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CCC3)c12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50143129 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.3.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CCC3)c12)-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C24H23N5O/c1-2-7-18(8-3-1)22-26-27-23-20-16-9-6-10-17(13-12-16)21(20)24(28-29(22)23)30-15-19-11-4-5-14-25-19/h1-5,7-8,11,14,16-17H,6,9-10,12-13,15H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells				J Med Chem 47: 1807-22 (2004) Article DOI: 10.1021/jm031020p BindingDB Entry DOI: 10.7270/Q2959H0R
					More data for this Ligand-Target Pair