BDBM50185142 (+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-2-yl)propanoic acid::CHEMBL210468

SMILES: CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1

InChI Key: InChIKey=QEBXXPLHWMZIKW-VXKWHMMOSA-N

Data: 5 IC50

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 5 hits for monomerid = 50185142   

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 2 (Homo sapiens (Human))	BDBM50185142 ((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P2 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 5 (Homo sapiens (Human))	BDBM50185142 ((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/m0/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P5 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50185142 ((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/m0/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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P3 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50185142 ((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/m0/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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P1 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 4 (Homo sapiens (Human))	BDBM50185142 ((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...) Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [33P]S1P from S1P4 expressed in CHO cells				Bioorg Med Chem Lett 16: 2905-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.038 BindingDB Entry DOI: 10.7270/Q2GQ6XCK
					More data for this Ligand-Target Pair