BDBM409301 2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyridin-1-yl]-1-(1-::US10377753, Example 193

SMILES: Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCCC3)c2c1

InChI Key: InChIKey=ANLDZCKRYVHYMM-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 409301   

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))	BDBM409301 (2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyrid...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCCC3)c2c1 Show InChI InChI=1S/C21H22FN3O/c1-15-11-16(5-6-18(15)22)17-12-20-19(23-13-17)7-10-25(20)14-21(26)24-8-3-2-4-9-24/h5-7,10-13H,2-4,8-9,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	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))	BDBM409301 (2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyrid...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCCC3)c2c1 Show InChI InChI=1S/C21H22FN3O/c1-15-11-16(5-6-18(15)22)17-12-20-19(23-13-17)7-10-25(20)14-21(26)24-8-3-2-4-9-24/h5-7,10-13H,2-4,8-9,14H2,1H3	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	155	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
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM409301 (2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyrid...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCCC3)c2c1 Show InChI InChI=1S/C21H22FN3O/c1-15-11-16(5-6-18(15)22)17-12-20-19(23-13-17)7-10-25(20)14-21(26)24-8-3-2-4-9-24/h5-7,10-13H,2-4,8-9,14H2,1H3	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	794	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))	BDBM409301 (2-[6-(4-Fluoro-3-methyl-phenyl)pyrrolo[3,2-b]pyrid...) Show SMILES Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCCCC3)c2c1 Show InChI InChI=1S/C21H22FN3O/c1-15-11-16(5-6-18(15)22)17-12-20-19(23-13-17)7-10-25(20)14-21(26)24-8-3-2-4-9-24/h5-7,10-13H,2-4,8-9,14H2,1H3	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	1.20E+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