BindingDB PrimarySearch

null

SMILES: Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12

InChI Key: InChIKey=VREFGVBLTWBCJP-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50001728
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128637 BindingDB Entry DOI: 10.7270/Q24B35B0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 256: 1154-60 (1991) BindingDB Entry DOI: 10.7270/Q2125R4D
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 256: 1154-60 (1991) BindingDB Entry DOI: 10.7270/Q2125R4D
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 256: 1154-60 (1991) BindingDB Entry DOI: 10.7270/Q2125R4D
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 256: 1154-60 (1991) BindingDB Entry DOI: 10.7270/Q2125R4D
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 256: 1154-60 (1991) BindingDB Entry DOI: 10.7270/Q2125R4D
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 266: 1018-28 (1993) BindingDB Entry DOI: 10.7270/Q2Q81BK1
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP K_i Database									J Pharmacol Exp Ther 266: 1018-28 (1993) BindingDB Entry DOI: 10.7270/Q2Q81BK1
Georgetown University Curated by PDSP K_i Database					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor receptor (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Sante Curated by PDSP K_i Database									J Pharmacol Exp Ther 252: 1221-7 (1990) BindingDB Entry DOI: 10.7270/Q2JW8CC2
Rhone-Poulenc Sante Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against Gamma-aminobutyric acid A receptor, alpha 5				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to BRD4-BD1 by isothermal titration calorimetry				Bioorg Med Chem 20: 1878-86 (2012) Article DOI: 10.1016/j.bmc.2011.10.080 BindingDB Entry DOI: 10.7270/Q2NC61PZ
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-gastrin from guinea pig gastric glands				J Med Chem 31: 176-81 (1988) BindingDB Entry DOI: 10.7270/Q2ZS2VH2
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas				J Med Chem 31: 176-81 (1988) BindingDB Entry DOI: 10.7270/Q2ZS2VH2
					More data for this Ligand-Target Pair
Platelet-activating factor receptor (Cavia porcellus)	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description Inhibition of PAF-induced platelet aggregation in rabbit platelet rich plasma				J Med Chem 36: 580-90 (1993) BindingDB Entry DOI: 10.7270/Q2SX6C9X
American Cyanamid Company Curated by ChEMBL					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50001728 (8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 2				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
Neurogen Corporation Curated by ChEMBL					More data for this Ligand-Target Pair