BDBM50162176 5-methyl-1,3-thiazol-2-yl[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-9-yloxy]methane::CHEMBL362620

SMILES: Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)s1

InChI Key: InChIKey=DLHLOWZPQSHARU-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 = 50162176   

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))	BDBM50162176 (5-methyl-1,3-thiazol-2-yl[6-phenyl-4,5,7,8-tetraaz...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)s1 |(1.98,-7.82,;1.07,-6.56,;-.47,-6.56,;-.95,-5.11,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.36,;.3,.4,;.3,1.95,;1.47,3.01,;.82,4.38,;-.7,4.24,;-1.03,2.72,;-2.36,1.94,;-3.71,2.63,;-3.06,1.18,;-4.62,1.18,;-3.69,-.37,;-5.02,.4,;-5.02,1.94,;-2.36,.4,;2.96,2.71,;3.45,1.26,;4.97,.96,;5.97,2.12,;5.48,3.57,;3.97,3.89,;1.55,-5.11,)| Show InChI InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50162176 (5-methyl-1,3-thiazol-2-yl[6-phenyl-4,5,7,8-tetraaz...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)s1 |(1.98,-7.82,;1.07,-6.56,;-.47,-6.56,;-.95,-5.11,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.36,;.3,.4,;.3,1.95,;1.47,3.01,;.82,4.38,;-.7,4.24,;-1.03,2.72,;-2.36,1.94,;-3.71,2.63,;-3.06,1.18,;-4.62,1.18,;-3.69,-.37,;-5.02,.4,;-5.02,1.94,;-2.36,.4,;2.96,2.71,;3.45,1.26,;4.97,.96,;5.97,2.12,;5.48,3.57,;3.97,3.89,;1.55,-5.11,)| Show InChI InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 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))	BDBM50162176 (5-methyl-1,3-thiazol-2-yl[6-phenyl-4,5,7,8-tetraaz...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)s1 |(1.98,-7.82,;1.07,-6.56,;-.47,-6.56,;-.95,-5.11,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.36,;.3,.4,;.3,1.95,;1.47,3.01,;.82,4.38,;-.7,4.24,;-1.03,2.72,;-2.36,1.94,;-3.71,2.63,;-3.06,1.18,;-4.62,1.18,;-3.69,-.37,;-5.02,.4,;-5.02,1.94,;-2.36,.4,;2.96,2.71,;3.45,1.26,;4.97,.96,;5.97,2.12,;5.48,3.57,;3.97,3.89,;1.55,-5.11,)| Show InChI InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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))	BDBM50162176 (5-methyl-1,3-thiazol-2-yl[6-phenyl-4,5,7,8-tetraaz...) Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)s1 |(1.98,-7.82,;1.07,-6.56,;-.47,-6.56,;-.95,-5.11,;.3,-4.2,;.3,-2.66,;-1.03,-1.9,;-1.03,-.36,;.3,.4,;.3,1.95,;1.47,3.01,;.82,4.38,;-.7,4.24,;-1.03,2.72,;-2.36,1.94,;-3.71,2.63,;-3.06,1.18,;-4.62,1.18,;-3.69,-.37,;-5.02,.4,;-5.02,1.94,;-2.36,.4,;2.96,2.71,;3.45,1.26,;4.97,.96,;5.97,2.12,;5.48,3.57,;3.97,3.89,;1.55,-5.11,)| Show InChI InChI=1S/C22H21N5OS/c1-13-11-23-17(29-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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