BindingDB PrimarySearch

BDBM50357102 CHEMBL1914489

SMILES: CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12

InChI Key: InChIKey=JWYIGNODXSRKGP-UHFFFAOYSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50357102
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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Antagonist activity against human CRTh2 receptor in human eosinophils assessed as inhibition of DK-PGD2-induced CD11b expression				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human CRTH2 expressed in HEK293 cells after 2 hrs by microbetascintillation counting				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
Oxagen Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50357102 (CHEMBL1914489) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 21: 6288-92 (2011) Article DOI: 10.1016/j.bmcl.2011.08.124 BindingDB Entry DOI: 10.7270/Q29P3225
AstraZeneca R&D Charnwood Curated by ChEMBL					More data for this Ligand-Target Pair