BDBM50311047 3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine::CHEMBL1077391::Ro-4882224

SMILES: Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21

InChI Key: InChIKey=VVBYXJYBLBPAEN-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50311047   

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))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha5beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312
					More data for this Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha3beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha1beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Flumazenil from cloned human GABAalpha2beta3gamma2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 5940-4 (2009) Article DOI: 10.1016/j.bmcl.2009.08.053 BindingDB Entry DOI: 10.7270/Q27944TT
					More data for this Ligand-Target Pair