BDBM50185146 (+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-2-yl)acetic acid::CHEMBL210782

SMILES: OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1

InChI Key: InChIKey=NFEFCBPHVVPEHI-SIKLNZKXSA-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 = 50185146   

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))	BDBM50185146 ((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,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	>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 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 4 (Homo sapiens (Human))	BDBM50185146 ((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,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	1.40E+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 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
Sphingosine 1-phosphate receptor 2 (Homo sapiens (Human))	BDBM50185146 ((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,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))	BDBM50185146 ((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,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	60	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 1 (Homo sapiens (Human))	BDBM50185146 ((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...) Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,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	2.70	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