BDBM50164400 CHEMBL3799694

SMILES: CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12

InChI Key: InChIKey=MQDBLHZAPZLITE-UHFFFAOYSA-N

Data: 6 EC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50164400   

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
NR1/NR2A (Homo sapiens (Human))	BDBM50164400 (CHEMBL3799694) Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	436	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...				J Med Chem 59: 2760-79 (2016) Article DOI: 10.1021/acs.jmedchem.5b02010 BindingDB Entry DOI: 10.7270/Q2N87CQW
					More data for this Ligand-Target Pair				3D Structure (crystal)
GRIA2 (Homo sapiens (Human))	BDBM50164400 (CHEMBL3799694) Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.32E+4	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...				J Med Chem 59: 2760-79 (2016) Article DOI: 10.1021/acs.jmedchem.5b02010 BindingDB Entry DOI: 10.7270/Q2N87CQW
					More data for this Ligand-Target Pair
Glutamate receptor AMPA 2/3 (Homo sapiens (Human))	BDBM50164400 (CHEMBL3799694) Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Positive allosteric modulation of human GluA2 receptor flip isoform assessed as increase in glutamate-induced calcium flux measured at time interval ...				ACS Med Chem Lett 8: 84-89 (2017) Article DOI: 10.1021/acsmedchemlett.6b00388 BindingDB Entry DOI: 10.7270/Q2VX0JH1
					More data for this Ligand-Target Pair
NR1/NR2A (Homo sapiens (Human))	BDBM50164400 (CHEMBL3799694) Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	440	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) expressed in CHO cells assessed as increase in glutamate-induced calcium flu...				ACS Med Chem Lett 8: 84-89 (2017) Article DOI: 10.1021/acsmedchemlett.6b00388 BindingDB Entry DOI: 10.7270/Q2VX0JH1
					More data for this Ligand-Target Pair				3D Structure (crystal)
GRIA2 (Homo sapiens (Human))	BDBM50164400 (CHEMBL3799694) Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Positive allosteric modulation of human GluA2 receptor flop isoform assessed as increase in glutamate-induced calcium flux measured at time interval ...				ACS Med Chem Lett 8: 84-89 (2017) Article DOI: 10.1021/acsmedchemlett.6b00388 BindingDB Entry DOI: 10.7270/Q2VX0JH1
					More data for this Ligand-Target Pair
GRIA2 (Homo sapiens (Human))	BDBM50164400 (CHEMBL3799694) Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C15H13ClF3N5O2S/c1-3-20-13(26)12-7(2)27-14-21-8(4-11(25)24(12)14)6-23-10(16)5-9(22-23)15(17,18)19/h4-5H,3,6H2,1-2H3,(H,20,26)	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...				J Med Chem 59: 2760-79 (2016) Article DOI: 10.1021/acs.jmedchem.5b02010 BindingDB Entry DOI: 10.7270/Q2N87CQW
					More data for this Ligand-Target Pair