BDBM50116042 CHEMBL63861::{7-[3-(4-Benzyl-piperazin-1-ylmethyl)-pyrrol-1-yl]-6-nitro-2,3-dioxo-3,4-dihydro-2H-quinoxalin-1-yl}-acetic acid

SMILES: OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1

InChI Key: InChIKey=UWBHJOVXAJRYJM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50116042   

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
GRIK1 (Homo sapiens (Human))	BDBM50116042 (CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	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-Kainate 7 (Homo sapiens (Human))	BDBM50116042 (CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	680	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
Glutamate receptor ionotropic, kainate 2 (Homo sapiens (Human))	BDBM50116042 (CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10E+3	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))	BDBM50116042 (CHEMBL63861 | {7-[3-(4-Benzyl-piperazin-1-ylmethyl...) Show SMILES OC(=O)Cn1c2cc(c(cc2[nH]c(=O)c1=O)[N+]([O-])=O)-n1ccc(CN2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C26H26N6O6/c33-24(34)17-31-21-13-22(23(32(37)38)12-20(21)27-25(35)26(31)36)30-7-6-19(16-30)15-29-10-8-28(9-11-29)14-18-4-2-1-3-5-18/h1-7,12-13,16H,8-11,14-15,17H2,(H,27,35)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+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 towards cloned human Kai-2 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