BindingDB PrimarySearch

BDBM369940 (R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide::US10233182, Example 52

SMILES: CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1

InChI Key:

Data: 15 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 369940
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono					Assay Description The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...				J Med Chem 51: 2227-2243 (2008) BindingDB Entry DOI: 10.7270/Q2QF8W5N
Merck Serono					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1/3 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of LPAR3 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of autotaxin in mouse plasma assessed as reduction in LPA (18:2) production incubated for 2 hrs LC-MS-/MS analysis				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of autotaxin in human plasma assessed as reduction in LPA (18:2) production incubated for 2 hrs LC-MS-/MS analysis				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp assay				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG by GLP based assay				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of ENPP1 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor 1 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of LPAR1 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of LPAR2 (unknown origin)				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM369940 ((R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-di...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
X-Chem, Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal FLAG-tagged human autotaxin expressed in Freestyle 293 cells assessed as reduction in choline release from LPC 16:0 pre-incu...				J Med Chem 63: 7840-7856 (2020)
X-Chem, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair