BindingDB PrimarySearch

BDBM50509849 CHEMBL4590530

SMILES: Cc1nnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)o1

InChI Key: InChIKey=RPFRKCVXNUCBIT-UHFFFAOYSA-N

Data: 2 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50509849
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
GluN1/GluN2B NMDA receptor (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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	47	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50509849 (CHEMBL4590530) Show SMILES Show InChI	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
Janssen Research & Development, LLC Curated by ChEMBL					More data for this Ligand-Target Pair