BDBM409486 N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-::US10377753, Example 351

SMILES: FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1

InChI Key: InChIKey=KBTLQCNLMSTKOK-UHFFFAOYSA-N

Data: 2 KI  7 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 9 hits for monomerid = 409486   

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))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	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]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
Ionotropic glutamate receptor NMDA 1/2C (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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/GluN2C 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
NR1/NR2A (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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/GluN2A 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
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	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	38	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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP2C19 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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	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	1.80E+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
Ionotropic glutamate receptor NMDA 1/2D (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	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/GluN2D 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
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM409486 (N-Cyclopropyl-2-[6-[3-(trifluoromethyl)phenyl]pyrr...) Show SMILES FC(F)(F)c1cccc(c1)-c1cnc2ccn(CC(=O)NC3CC3)c2c1 Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)14-3-1-2-12(8-14)13-9-17-16(23-10-13)6-7-25(17)11-18(26)24-15-4-5-15/h1-3,6-10,15H,4-5,11H2,(H,24,26)	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	79.4	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