BindingDB PrimarySearch

BDBM50004952 3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carboxylic acid::CHEMBL31344

SMILES: OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O

InChI Key: InChIKey=KNBSYZNKEAWABY-UHFFFAOYSA-N

Data: 4 KI 8 IC50 1 Kd 2 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50004952
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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]-glycine, by greater than 50%, from NMDA receptor of rat cortical membranes at a dose of 10 microM				Bioorg Med Chem Lett 3: 81-84 (1993) Article DOI: 10.1016/S0960-894X(00)80096-7 BindingDB Entry DOI: 10.7270/Q2MK6CTN
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by homologous competition binding assay in presence o...				ACS Med Chem Lett 5: 326-30 (2014) Article DOI: 10.1021/ml400399f BindingDB Entry DOI: 10.7270/Q2445P0D
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by competition binding assay				ACS Med Chem Lett 5: 326-30 (2014) Article DOI: 10.1021/ml400399f BindingDB Entry DOI: 10.7270/Q2445P0D
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sultan Qaboos University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes after 60 mins by liquid scintillation counting				J Med Chem 61: 8136-8154 (2018) Article DOI: 10.1021/acs.jmedchem.7b01768 BindingDB Entry DOI: 10.7270/Q28C9ZWJ
Sultan Qaboos University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences&Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...				Eur J Med Chem 90: 394-405 (2015) Article DOI: 10.1016/j.ejmech.2014.11.049 BindingDB Entry DOI: 10.7270/Q2CJ8G7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-L-689,560 binding to Glycine site of NMDA receptor of rat cortical membranes				Bioorg Med Chem Lett 2: 1627-1630 (1992) Article DOI: 10.1016/S0960-894X(00)80444-8 BindingDB Entry DOI: 10.7270/Q22V2G1V
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of FBPase (unknown origin)				Bioorg Med Chem 22: 1850-62 (2014) Article DOI: 10.1016/j.bmc.2014.01.047 BindingDB Entry DOI: 10.7270/Q2B56M79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1 (FBPase) (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coup...				Bioorg Med Chem 22: 1850-62 (2014) Article DOI: 10.1016/j.bmc.2014.01.047 BindingDB Entry DOI: 10.7270/Q2B56M79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Uracil nucleotide/cysteinyl leukotriene receptor (Mus musculus)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a
Sultan Qaboos University Curated by ChEMBL					Assay Description Agonist activity at mouse GPR17 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by calcium 5-dye based assay				J Med Chem 61: 8136-8154 (2018) Article DOI: 10.1021/acs.jmedchem.7b01768 BindingDB Entry DOI: 10.7270/Q28C9ZWJ
Sultan Qaboos University Curated by ChEMBL					More data for this Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor (Rattus norvegicus)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	705	n/a	n/a	n/a	n/a
Sultan Qaboos University Curated by ChEMBL					Assay Description Agonist activity at rat GPR17 expressed in HEK293 cells assessed as induction of intracellular calcium mobilization by calcium 5-dye based assay				J Med Chem 61: 8136-8154 (2018) Article DOI: 10.1021/acs.jmedchem.7b01768 BindingDB Entry DOI: 10.7270/Q28C9ZWJ
Sultan Qaboos University Curated by ChEMBL					More data for this Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase) (Sus scrofa (Pig))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Fructose-1,6-bisphosphatase (F16BPase) in porcine kidney				Bioorg Med Chem Lett 13: 2055-8 (2003) BindingDB Entry DOI: 10.7270/Q26Q1WNC
Pfizer Central Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Urbino Curated by ChEMBL					Assay Description Inhibition of binding of [3H]-glycine to N-methyl-D-aspartate glutamate receptor 1 from crude synaptic membranes prepared from adult rat cerebral cor...				J Med Chem 41: 808-20 (1998) Article DOI: 10.1021/jm970416w BindingDB Entry DOI: 10.7270/Q2QZ293M
Università degli Studi di Urbino Curated by ChEMBL					More data for this Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor (Homo sapiens (Human))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human GPR17 expressed in CHO-K1 cell membranes after 60 mins by saturation curve study				ACS Med Chem Lett 5: 326-30 (2014) Article DOI: 10.1021/ml400399f BindingDB Entry DOI: 10.7270/Q2445P0D
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat))	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for in vitro inhibition of cGMP cerebellar slice at NMDA receptor.				J Med Chem 37: 4053-67 (1995) BindingDB Entry DOI: 10.7270/Q2JM28PT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50004952 (3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of the binding of [3H]-L-689,560 ([3H]-4) to the strychnine-insensitive glycine site on rat brain membranes				J Med Chem 37: 1402-5 (1994) BindingDB Entry DOI: 10.7270/Q2DF6Q8C
					More data for this Ligand-Target Pair