BDBM50142561 11-(3,5-Dimethyl-isoxazol-4-yl)-9-(4-methyl-thiazol-2-yl)-6,7-dihydro-5H-2,7a-diaza-dibenzo[a,c]cyclohepten-8-one::CHEMBL44320

SMILES: Cc1csc(n1)-c1cc(-c2c(C)noc2C)c2-c3cnccc3CCCn2c1=O

InChI Key: InChIKey=JTGPXCIJDIEQSX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50142561   

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-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50142561 (11-(3,5-Dimethyl-isoxazol-4-yl)-9-(4-methyl-thiazo...) Show SMILES Cc1csc(n1)-c1cc(-c2c(C)noc2C)c2-c3cnccc3CCCn2c1=O |(17.68,4.83,;16.14,4.98,;15.37,6.31,;13.87,6,;13.71,4.46,;15.11,3.83,;12.38,3.67,;12.38,2.13,;11.04,1.36,;11.06,-.17,;12.31,-1.08,;13.78,-.61,;11.84,-2.56,;10.3,-2.56,;9.8,-1.08,;8.47,-1.86,;9.71,2.13,;8.51,1.17,;8.96,-.29,;7.93,-1.41,;6.41,-1.08,;5.97,.39,;7.01,1.51,;6.34,2.89,;7.01,4.29,;8.51,4.63,;9.71,3.67,;11.04,4.44,;11.04,6,)| Show InChI InChI=1S/C22H20N4O2S/c1-12-11-29-21(24-12)17-9-16(19-13(2)25-28-14(19)3)20-18-10-23-7-6-15(18)5-4-8-26(20)22(17)27/h6-7,9-11H,4-5,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement...				Bioorg Med Chem Lett 14: 1679-82 (2004) Article DOI: 10.1016/j.bmcl.2004.01.057 BindingDB Entry DOI: 10.7270/Q27D2TK7
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50142561 (11-(3,5-Dimethyl-isoxazol-4-yl)-9-(4-methyl-thiazo...) Show SMILES Cc1csc(n1)-c1cc(-c2c(C)noc2C)c2-c3cnccc3CCCn2c1=O |(17.68,4.83,;16.14,4.98,;15.37,6.31,;13.87,6,;13.71,4.46,;15.11,3.83,;12.38,3.67,;12.38,2.13,;11.04,1.36,;11.06,-.17,;12.31,-1.08,;13.78,-.61,;11.84,-2.56,;10.3,-2.56,;9.8,-1.08,;8.47,-1.86,;9.71,2.13,;8.51,1.17,;8.96,-.29,;7.93,-1.41,;6.41,-1.08,;5.97,.39,;7.01,1.51,;6.34,2.89,;7.01,4.29,;8.51,4.63,;9.71,3.67,;11.04,4.44,;11.04,6,)| Show InChI InChI=1S/C22H20N4O2S/c1-12-11-29-21(24-12)17-9-16(19-13(2)25-28-14(19)3)20-18-10-23-7-6-15(18)5-4-8-26(20)22(17)27/h6-7,9-11H,4-5,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement...				Bioorg Med Chem Lett 14: 1679-82 (2004) Article DOI: 10.1016/j.bmcl.2004.01.057 BindingDB Entry DOI: 10.7270/Q27D2TK7
					More data for this Ligand-Target Pair