BDBM50162216 4-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxymethyl]-1,3-thiazole::CHEMBL360912

SMILES: C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cscn1

InChI Key: InChIKey=NDFKYGUTDGWIHX-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 = 50162216   

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))	BDBM50162216 (4-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cscn1 |(.37,-2.95,;-.96,-2.17,;-.96,-.64,;.37,.12,;.37,1.68,;1.54,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.66,;-3.65,2.35,;-4.96,1.66,;-4.96,.12,;-3.62,-.65,;-4.56,.9,;-2.99,.9,;-2.29,.12,;3.04,2.43,;3.53,.97,;5.05,.68,;6.06,1.84,;5.56,3.3,;4.05,3.59,;.37,-4.49,;-.88,-5.4,;-.4,-6.86,;1.15,-6.86,;1.62,-5.4,)| Show InChI InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2	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 & 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))	BDBM50162216 (4-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cscn1 |(.37,-2.95,;-.96,-2.17,;-.96,-.64,;.37,.12,;.37,1.68,;1.54,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.66,;-3.65,2.35,;-4.96,1.66,;-4.96,.12,;-3.62,-.65,;-4.56,.9,;-2.99,.9,;-2.29,.12,;3.04,2.43,;3.53,.97,;5.05,.68,;6.06,1.84,;5.56,3.3,;4.05,3.59,;.37,-4.49,;-.88,-5.4,;-.4,-6.86,;1.15,-6.86,;1.62,-5.4,)| Show InChI InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	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 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))	BDBM50162216 (4-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cscn1 |(.37,-2.95,;-.96,-2.17,;-.96,-.64,;.37,.12,;.37,1.68,;1.54,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.66,;-3.65,2.35,;-4.96,1.66,;-4.96,.12,;-3.62,-.65,;-4.56,.9,;-2.99,.9,;-2.29,.12,;3.04,2.43,;3.53,.97,;5.05,.68,;6.06,1.84,;5.56,3.3,;4.05,3.59,;.37,-4.49,;-.88,-5.4,;-.4,-6.86,;1.15,-6.86,;1.62,-5.4,)| Show InChI InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	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))	BDBM50162216 (4-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cscn1 |(.37,-2.95,;-.96,-2.17,;-.96,-.64,;.37,.12,;.37,1.68,;1.54,2.74,;.89,4.11,;-.63,3.95,;-.96,2.45,;-2.29,1.66,;-3.65,2.35,;-4.96,1.66,;-4.96,.12,;-3.62,-.65,;-4.56,.9,;-2.99,.9,;-2.29,.12,;3.04,2.43,;3.53,.97,;5.05,.68,;6.06,1.84,;5.56,3.3,;4.05,3.59,;.37,-4.49,;-.88,-5.4,;-.4,-6.86,;1.15,-6.86,;1.62,-5.4,)| Show InChI InChI=1S/C21H19N5OS/c1-2-4-15(5-3-1)19-23-24-20-17-13-6-8-14(9-7-13)18(17)21(25-26(19)20)27-10-16-11-28-12-22-16/h1-5,11-14H,6-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	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