new BindingDB logo
myBDB logout

BDBM50305387 3-(Biphenyl-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::CHEMBL603442

SMILES: Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C

InChI Key: InChIKey=FZOFYAKHPAXACJ-NQBQSDHDSA-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 = 50305387   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 280n/an/an/an/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))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/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))
BDBM50305387
PNG
(3-(Biphenyl-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,...)
Show SMILES Cc1nn(C(=O)\C=C\c2ccc(cc2)-c2ccccc2)c2C[C@@H]3[C@H](c12)C3(C)C |r|
Show InChI InChI=1S/C25H24N2O/c1-16-23-21(15-20-24(23)25(20,2)3)27(26-16)22(28)14-11-17-9-12-19(13-10-17)18-7-5-4-6-8-18/h4-14,20,24H,15H2,1-3H3/b14-11+/t20-,24-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/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