BDBM50164392 CHEMBL3797818

SMILES: CCNC(=O)c1c(C)sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n12

InChI Key: InChIKey=ZBZNBRLJRWPWRY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50164392   

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))	BDBM50164392 (CHEMBL3797818) Show SMILES CCNC(=O)c1c(C)sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	1.20E+3	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) BindingDB Entry DOI: 10.7270/Q2N87CQW
					More data for this Ligand-Target Pair				3D Structure (crystal)
GRIA2 (Homo sapiens (Human))	BDBM50164392 (CHEMBL3797818) Show SMILES CCNC(=O)c1c(C)sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.94E+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) BindingDB Entry DOI: 10.7270/Q2N87CQW
					More data for this Ligand-Target Pair
GRIA2 (Homo sapiens (Human))	BDBM50164392 (CHEMBL3797818) Show SMILES CCNC(=O)c1c(C)sc2nc(Cc3cccc(c3F)C(F)(F)F)cc(=O)n12 Show InChI InChI=1S/C18H15F4N3O2S/c1-3-23-16(27)15-9(2)28-17-24-11(8-13(26)25(15)17)7-10-5-4-6-12(14(10)19)18(20,21)22/h4-6,8H,3,7H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.83E+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) BindingDB Entry DOI: 10.7270/Q2N87CQW
					More data for this Ligand-Target Pair