BDBM50332375 4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N-propylcinnoline-3-carboxamide::CHEMBL1631467

SMILES: CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1

InChI Key: InChIKey=ZRHJFOQMTHUEKL-UHFFFAOYSA-N

Data: 4 EC50

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 = 50332375   

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))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	174	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	455	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	389	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair