BDBM50525189 CHEMBL4458674

SMILES: OC(=O)CC1CNC=N1

InChI Key: InChIKey=XXSINOSGBVIRNZ-UHFFFAOYSA-N

Data: 8 IC50  8 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 16 hits for monomerid = 50525189   

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 transporter 2 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A alpha1beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	790	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A alpha5beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A alpha4beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A alpha1beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA transporter 3 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human GAT3 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A alpha4beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	794	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A alpha5beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA-C receptor (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 s...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA transporter 2 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
Betaine transporter (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA transporter 1 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA transporter 3 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human GAT3 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA transporter 1 (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
Betaine transporter (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair
GABA-C receptor (Homo sapiens (Human))	BDBM50525189 (CHEMBL4458674) Show SMILES OC(=O)CC1CNC=N1 |c:7| Show InChI InChI=1S/C5H8N2O2/c8-5(9)1-4-2-6-3-7-4/h3-4H,1-2H2,(H,6,7)(H,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Agonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 s...				J Med Chem 62: 5797-5809 (2019) Article DOI: 10.1021/acs.jmedchem.9b00026
					More data for this Ligand-Target Pair