BDBM50116040 (7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-yl}-2,3-dioxo-6-trifluoromethyl-3,4-dihydro-2H-quinoxalin-1-yl)-acetic acid::CHEMBL13076

SMILES: OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1

InChI Key: InChIKey=ONWXFZVXNOZZFR-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50116040   

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-Kainate 7 (Homo sapiens (Human))	BDBM50116040 ((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand				Bioorg Med Chem Lett 12: 2113-6 (2002) BindingDB Entry DOI: 10.7270/Q22806XK
					More data for this Ligand-Target Pair
GRIK1 (Homo sapiens (Human))	BDBM50116040 ((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity towards cloned human GluR5 subunit stably expressed in cultured HEK-293 cells using [3]H-kainate as radioligand				Bioorg Med Chem Lett 12: 2113-6 (2002) BindingDB Entry DOI: 10.7270/Q22806XK
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2 (Homo sapiens (Human))	BDBM50116040 ((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity for human GluR6 expressed in HEK-293 cells using [3]H-kainate				Bioorg Med Chem Lett 12: 2113-6 (2002) BindingDB Entry DOI: 10.7270/Q22806XK
					More data for this Ligand-Target Pair
Grik5 (Homo sapiens (Human))	BDBM50116040 ((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity of the compound was determined towards Kai-2 using [3]H-kainate as the radioligand				Bioorg Med Chem Lett 12: 2113-6 (2002) BindingDB Entry DOI: 10.7270/Q22806XK
					More data for this Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat))	BDBM50116040 ((7-{3-[3-(4-Nitro-phenyl)-ureidomethyl]-pyrrol-1-y...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)C(F)(F)F)-n1ccc(CNC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17F3N6O7/c24-23(25,26)15-7-16-18(31(11-19(33)34)21(36)20(35)29-16)8-17(15)30-6-5-12(10-30)9-27-22(37)28-13-1-3-14(4-2-13)32(38)39/h1-8,10H,9,11H2,(H,29,35)(H,33,34)(H2,27,28,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-glycine from NMDA receptor				Bioorg Med Chem Lett 7: 1101-1106 (1997) Article DOI: 10.1016/S0960-894X(97)00170-4 BindingDB Entry DOI: 10.7270/Q2862GG0
					More data for this Ligand-Target Pair