BDBM409569 N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-::US10377753, Example 435

SMILES: CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=XLLXNJWERSVYQO-UHFFFAOYSA-N

Data: 1 KI  9 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 10 hits for monomerid = 409569   

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))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	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))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	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	81	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 2C9 (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	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	>1.00E+4	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 Inhibition of CYP2D6 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 2C8 (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of CYP2C8 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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	KEGG UniProtKB/SwissProt 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 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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Inhibition of CYP1A2 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 2C19 (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	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	50.1	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 3A4 (Homo sapiens (Human))	BDBM409569 (N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrro...) Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H16F3N3O/c1-23(2)17(25)11-24-7-6-15-16(24)9-13(10-22-15)12-4-3-5-14(8-12)18(19,20)21/h3-10H,11H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research & Development, LLC Curated by ChEMBL					Assay Description Inhibition of CYP3A4 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