BDBM50000687 2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyridazin-3-ylidene-ammonium; bromide(gabazine)::4-[6-Amino-3-(4-methoxy-phenyl)-6H-pyridazin-1-yl]-butyric acid : bromide::6-Amino-1-(3-carboxy-propyl)-3-(4-methoxy-phenyl)-pyridazin-1-ium; bromide::CHEMBL303580::SR 95531

SMILES: COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1

InChI Key: InChIKey=ACVGNKYJVGNLIL-UHFFFAOYSA-O

Data: 8 KI  1 IC50

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 9 hits for monomerid = 50000687   

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 A Alpha2Beta1Gamma2 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	8.91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	30.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	34.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	38.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	38.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	60.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by PDSP Ki Database									Mol Pharmacol 52: 1150-6 (1997) BindingDB Entry DOI: 10.7270/Q29C6VZC
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50000687 (2-(3-Carboxy-propyl)-6-(4-methoxy-phenyl)-2H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=[NH2+])n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Affinity for GABA-B receptor by inhibiting GABA uptake into rat brain synaptosomes				J Med Chem 45: 2454-68 (2002) BindingDB Entry DOI: 10.7270/Q2D21Z91
					More data for this Ligand-Target Pair