BDBM50246910 CHEMBL4084540

SMILES: Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O

InChI Key: InChIKey=MWFIVBKDCYATMH-QJVKKXMWSA-N

Data: 7 KI  4 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 11 hits for monomerid = 50246910   

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
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2B expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1 (RAT-Rattus norvegicus (Rat))	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2C expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D (RAT-Rattus norvegicus (Rat))	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5 (Rattus norvegicus)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]-KA from recombinant homomeric rat GluK2 (V,C,R)a receptor expressed in baculovirus infected Sf9 insect cell membranes by scintil...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate (Rattus norvegicus)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]-KA from recombinant homomeric rat GluK3a receptor expressed in baculovirus infected Sf9 insect cell membranes by scintillation c...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]-SYM2081 from recombinant homomeric rat GluK1 (Q)1b receptor expressed in baculovirus infected Sf9 insect cell membranes by scint...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2B expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2A expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D (RAT-Rattus norvegicus (Rat))	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2D expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1 (RAT-Rattus norvegicus (Rat))	BDBM50246910 (CHEMBL4084540) Show SMILES Cl.OC(=O)[C@H]1NCC[C@@H]1c1ccc(Cl)c(c1)C(O)=O |r| Show InChI InChI=1S/C12H12ClNO4.ClH/c13-9-2-1-6(5-8(9)11(15)16)7-3-4-14-10(7)12(17)18;/h1-2,5,7,10,14H,3-4H2,(H,15,16)(H,17,18);1H/t7-,10+;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat GluN1a/GluN2C expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-mediated current...				J Med Chem 60: 9885-9904 (2017) Article DOI: 10.1021/acs.jmedchem.7b01624 BindingDB Entry DOI: 10.7270/Q21R6SXD
					More data for this Ligand-Target Pair