BDBM409264 1-(Azetidin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-::US10377753, Example 166

SMILES: FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1

InChI Key: InChIKey=LHYFLTYKAZTAJM-UHFFFAOYSA-N

Data: 1 KI  4 IC50

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 = 409264   

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 receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM409264 (1-(Azetidin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-4-1-3-13(9-15)14-10-17-16(23-11-14)5-8-25(17)12-18(26)24-6-2-7-24/h1,3-5,8-11H,2,6-7,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542
					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM409264 (1-(Azetidin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-4-1-3-13(9-15)14-10-17-16(23-11-14)5-8-25(17)12-18(26)24-6-2-7-24/h1,3-5,8-11H,2,6-7,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Negative allosteric modulation of recombinant human GluN1a/GluN2B expressed in CHO-T-REx cells assessed as inhibition of glutamate/glycine-induced re...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM409264 (1-(Azetidin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-4-1-3-13(9-15)14-10-17-16(23-11-14)5-8-25(17)12-18(26)24-6-2-7-24/h1,3-5,8-11H,2,6-7,12H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from recombinant human ERG expressed in HEK293 cell membranes measured after 80 mins by TopCount scintillation analysi...				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM409264 (1-(Azetidin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-4-1-3-13(9-15)14-10-17-16(23-11-14)5-8-25(17)12-18(26)24-6-2-7-24/h1,3-5,8-11H,2,6-7,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay depends on the binding of a tracer to the GluN2B subunit-containing NMDA receptors and the ability of the test compounds to displace such b...				US Patent US10377753 (2019) BindingDB Entry DOI: 10.7270/Q2CJ8GVK
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM409264 (1-(Azetidin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)N3CCC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-4-1-3-13(9-15)14-10-17-16(23-11-14)5-8-25(17)12-18(26)24-6-2-7-24/h1,3-5,8-11H,2,6-7,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				ACS Med Chem Lett 10: 261-266 (2019) Article DOI: 10.1021/acsmedchemlett.8b00542
					More data for this Ligand-Target Pair