BDBM50162263 6-cyclopropyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yl 2-pyridylmethyl ether::CHEMBL178738

SMILES: C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)C1CC1)c1ccccn1

InChI Key: InChIKey=CBAXLHGEEASOPH-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 = 50162263   

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))	BDBM50162263 (6-cyclopropyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)C1CC1)c1ccccn1 |(.96,-2.43,;-.37,-1.68,;-.37,-.14,;.94,.63,;.94,2.17,;2.12,3.24,;1.47,4.59,;-.05,4.45,;-.37,2.95,;-1.7,2.17,;-3.06,2.85,;-2.4,1.41,;-3.98,1.41,;-3.03,-.15,;-4.36,.63,;-4.36,2.17,;-1.7,.63,;3.62,2.94,;4.78,1.91,;5.08,3.43,;.96,-3.99,;-.39,-4.73,;-.39,-6.27,;.94,-7.05,;2.29,-6.27,;2.29,-4.73,)| Show InChI InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	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))	BDBM50162263 (6-cyclopropyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)C1CC1)c1ccccn1 |(.96,-2.43,;-.37,-1.68,;-.37,-.14,;.94,.63,;.94,2.17,;2.12,3.24,;1.47,4.59,;-.05,4.45,;-.37,2.95,;-1.7,2.17,;-3.06,2.85,;-2.4,1.41,;-3.98,1.41,;-3.03,-.15,;-4.36,.63,;-4.36,2.17,;-1.7,.63,;3.62,2.94,;4.78,1.91,;5.08,3.43,;.96,-3.99,;-.39,-4.73,;-.39,-6.27,;.94,-7.05,;2.29,-6.27,;2.29,-4.73,)| Show InChI InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	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))	BDBM50162263 (6-cyclopropyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)C1CC1)c1ccccn1 |(.96,-2.43,;-.37,-1.68,;-.37,-.14,;.94,.63,;.94,2.17,;2.12,3.24,;1.47,4.59,;-.05,4.45,;-.37,2.95,;-1.7,2.17,;-3.06,2.85,;-2.4,1.41,;-3.98,1.41,;-3.03,-.15,;-4.36,.63,;-4.36,2.17,;-1.7,.63,;3.62,2.94,;4.78,1.91,;5.08,3.43,;.96,-3.99,;-.39,-4.73,;-.39,-6.27,;.94,-7.05,;2.29,-6.27,;2.29,-4.73,)| Show InChI InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	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))	BDBM50162263 (6-cyclopropyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)C1CC1)c1ccccn1 |(.96,-2.43,;-.37,-1.68,;-.37,-.14,;.94,.63,;.94,2.17,;2.12,3.24,;1.47,4.59,;-.05,4.45,;-.37,2.95,;-1.7,2.17,;-3.06,2.85,;-2.4,1.41,;-3.98,1.41,;-3.03,-.15,;-4.36,.63,;-4.36,2.17,;-1.7,.63,;3.62,2.94,;4.78,1.91,;5.08,3.43,;.96,-3.99,;-.39,-4.73,;-.39,-6.27,;.94,-7.05,;2.29,-6.27,;2.29,-4.73,)| Show InChI InChI=1S/C20H21N5O/c1-2-10-21-15(3-1)11-26-20-17-13-6-4-12(5-7-13)16(17)19-23-22-18(14-8-9-14)25(19)24-20/h1-3,10,12-14H,4-9,11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	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