BDBM50162222 1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane::CHEMBL361340

SMILES: C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1

InChI Key: InChIKey=IPEQYLWHCRAOTC-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 = 50162222   

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))	BDBM50162222 (1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraazatetracycl...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1 |TLB:2:16:11.12:15.14,THB:8:9:11.12:15.14,(.38,-2.9,;-.97,-2.13,;-.97,-.58,;.37,.18,;.37,1.73,;1.5,2.75,;.9,4.16,;-.62,4.01,;-.97,2.5,;-2.28,1.72,;-3.64,2.41,;-4.41,.86,;-2.84,.86,;-3.62,-.59,;-4.97,.18,;-4.97,1.72,;-2.28,.18,;3,2.35,;4.08,3.45,;5.55,3.06,;5.97,1.57,;4.87,.48,;3.4,.88,;.38,-4.44,;-.86,-5.35,;-.37,-6.81,;1.15,-6.81,;1.62,-5.35,)| Show InChI InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.870	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))	BDBM50162222 (1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraazatetracycl...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1 |TLB:2:16:11.12:15.14,THB:8:9:11.12:15.14,(.38,-2.9,;-.97,-2.13,;-.97,-.58,;.37,.18,;.37,1.73,;1.5,2.75,;.9,4.16,;-.62,4.01,;-.97,2.5,;-2.28,1.72,;-3.64,2.41,;-4.41,.86,;-2.84,.86,;-3.62,-.59,;-4.97,.18,;-4.97,1.72,;-2.28,.18,;3,2.35,;4.08,3.45,;5.55,3.06,;5.97,1.57,;4.87,.48,;3.4,.88,;.38,-4.44,;-.86,-5.35,;-.37,-6.81,;1.15,-6.81,;1.62,-5.35,)| Show InChI InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	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))	BDBM50162222 (1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraazatetracycl...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1 |TLB:2:16:11.12:15.14,THB:8:9:11.12:15.14,(.38,-2.9,;-.97,-2.13,;-.97,-.58,;.37,.18,;.37,1.73,;1.5,2.75,;.9,4.16,;-.62,4.01,;-.97,2.5,;-2.28,1.72,;-3.64,2.41,;-4.41,.86,;-2.84,.86,;-3.62,-.59,;-4.97,.18,;-4.97,1.72,;-2.28,.18,;3,2.35,;4.08,3.45,;5.55,3.06,;5.97,1.57,;4.87,.48,;3.4,.88,;.38,-4.44,;-.86,-5.35,;-.37,-6.81,;1.15,-6.81,;1.62,-5.35,)| Show InChI InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 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))	BDBM50162222 (1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraazatetracycl...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1 |TLB:2:16:11.12:15.14,THB:8:9:11.12:15.14,(.38,-2.9,;-.97,-2.13,;-.97,-.58,;.37,.18,;.37,1.73,;1.5,2.75,;.9,4.16,;-.62,4.01,;-.97,2.5,;-2.28,1.72,;-3.64,2.41,;-4.41,.86,;-2.84,.86,;-3.62,-.59,;-4.97,.18,;-4.97,1.72,;-2.28,.18,;3,2.35,;4.08,3.45,;5.55,3.06,;5.97,1.57,;4.87,.48,;3.4,.88,;.38,-4.44,;-.86,-5.35,;-.37,-6.81,;1.15,-6.81,;1.62,-5.35,)| Show InChI InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	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