BDBM50305380 3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone::CHEMBL590384

SMILES: Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C

InChI Key: InChIKey=UXTMTCULOZQOPD-IRVACUKQSA-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 = 50305380   

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))	BDBM50305380 (3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...) Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1	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	17	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))	BDBM50305380 (3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...) Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1	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	345	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))	BDBM50305380 (3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...) Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1	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	100	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))	BDBM50305380 (3-(Pyridin-3-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4...) Show SMILES Cc1nn(C(=O)\C=C\c2cccnc2)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C18H19N3O/c1-11-16-14(9-13-17(16)18(13,2)3)21(20-11)15(22)7-6-12-5-4-8-19-10-12/h4-8,10,13,17H,9H2,1-3H3/b7-6+/t13-,17-/m1/s1	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