BDBM50158341 1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)methoxy)benzyl)azetidine-3-carboxylic acid::CHEMBL224571

SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1

InChI Key InChIKey=AHFAXNLVTHDCEY-UHFFFAOYSA-N

Data  5 IC50  1 EC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50158341   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158341(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
Affinity DataIC50: 3.20nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158341(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
Affinity DataIC50: 1.30E+3nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P4 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158341(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
Affinity DataIC50: 18nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P5 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158341(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
Affinity DataIC50: 2.00E+3nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158341(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50158341(1-(3-chloro-4-((4-phenyl-5-(trifluoromethyl)thioph...)
Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)c(Cl)c2)C1
Show InChI InChI=1S/C23H19ClF3NO3S/c24-19-8-14(10-28-11-16(12-28)22(29)30)6-7-20(19)31-13-17-9-18(15-4-2-1-3-5-15)21(32-17)23(25,26)27/h1-9,16H,10-13H2,(H,29,30)
Affinity DataEC50:  1.40nMAssay Description:Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair