BindingDB PrimarySearch

BDBM50361891 CHEMBL1938952

SMILES: COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F

InChI Key: InChIKey=MLDQTQOMWDNTNN-UHFFFAOYSA-N

Data: 3 IC50 7 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50361891
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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO-K1 cells co-expressing Gq/i5 G-protein assessed as calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 22: 527-31 (2011) Article DOI: 10.1016/j.bmcl.2011.10.085 BindingDB Entry DOI: 10.7270/Q2PG1S67
USA. Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Ho...				Bioorg Med Chem Lett 22: 527-31 (2011) Article DOI: 10.1016/j.bmcl.2011.10.085 BindingDB Entry DOI: 10.7270/Q2PG1S67
USA. Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalisation after 1 hr by microscopic analysis				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P2 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as intracellular calcium release by fluorimetry				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P4 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as calcium mobilization-induced bioluminescence change after mea...				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P5 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as calcium mobilization-induced bioluminescence change measured ...				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) 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	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) 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	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50361891 (CHEMBL1938952) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human S1P3 expressed in CHO-K1 cells coexpressing Gq/i5 assessed as intracellular calcium release by fluorimetry				ACS Med Chem Lett 2: 752-757 (2011) Article DOI: 10.1021/ml2001399 BindingDB Entry DOI: 10.7270/Q21837G0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair