BDBM50305381 3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone::CHEMBL601062

SMILES: Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C

InChI Key: InChIKey=FUKOIAOTNSHHJQ-VUPXXRIVSA-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 = 50305381   

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))	BDBM50305381 (3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...) Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/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	2	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))	BDBM50305381 (3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...) Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/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	505	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))	BDBM50305381 (3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...) Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/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	560	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))	BDBM50305381 (3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...) Show SMILES Cc1nn(C(=O)\C=C\c2cccc3[nH]ccc23)c2C[C@@H]3[C@H](c12)C3(C)C |r| Show InChI InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/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	995	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