BDBM50305375 3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone::CHEMBL591102
SMILES: Cc1nn(C(=O)\C=C\c2ccccc2Cl)c2C[C@@H]3[C@H](c12)C3(C)C
InChI Key: InChIKey=PKXVBXQWZXYOGL-XCUIMDOYSA-N
Data: 4 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human)) | BDBM50305375 (3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 20: 35-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.045 BindingDB Entry DOI: 10.7270/Q2D79BH1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human)) | BDBM50305375 (3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human SIP5 receptor by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 20: 35-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.045 BindingDB Entry DOI: 10.7270/Q2D79BH1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human)) | BDBM50305375 (3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human SIP4 receptor by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 20: 35-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.045 BindingDB Entry DOI: 10.7270/Q2D79BH1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM50305375 (3-(2-Chloro-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Agonist activity at human SIP3 receptor by [35S]GTPgammaS binding assay | Bioorg Med Chem Lett 20: 35-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.045 BindingDB Entry DOI: 10.7270/Q2D79BH1 | |||||||||||
More data for this Ligand-Target Pair |