BDBM50305384 (3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole::CHEMBL603441

SMILES: Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1

InChI Key: InChIKey=ZMMBHROVKDGNDE-HVMBIVEYSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50305384   

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 3 (Homo sapiens (Human))	BDBM50305384 ((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...) Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50305384 ((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...) Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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))	BDBM50305384 ((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...) Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50305384 ((3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulf...) Show SMILES Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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