BDBM50164398 CHEMBL3799213

SMILES: FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1

InChI Key: InChIKey=FTIBNGABJNFFAI-KGQMAECUNA-N

Data: 5 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 5 hits for monomerid = 50164398   

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
GRIA2 (Homo sapiens (Human))	BDBM50164398 (CHEMBL3799213) Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1 Show InChI InChI=1/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/s2	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.10E+3	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
Ionotropic glutamate receptor NMDA 1/2C (Homo sapiens (Human))	BDBM50164398 (CHEMBL3799213) Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1 Show InChI InChI=1/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/s2	PDB GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Positive allosteric modulation of GluN1/GluN2C NMDAR (unknown origin) expressed in Dox-inducible cells by BD calcium indicator dye based-fluorescence...				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)
Ionotropic glutamate receptor NMDA 1/2D (Homo sapiens (Human))	BDBM50164398 (CHEMBL3799213) Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1 Show InChI InChI=1/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/s2	PDB GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Positive allosteric modulation of GluN1/GluN2D NMDAR (unknown origin) expressed in Dox-inducible cells by BD calcium indicator dye based-fluorescence...				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))	BDBM50164398 (CHEMBL3799213) Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1 Show InChI InChI=1/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/s2	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	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
NR1/NR2A (Homo sapiens (Human))	BDBM50164398 (CHEMBL3799213) Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1 Show InChI InChI=1/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/s2	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	21	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)