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2 similar compounds to monomer 50156683

Compile data set for download or QSAR
Wt: 445.4
BDBM50156676
Wt: 405.4
BDBM50156684

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50156676,50156684   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50156684
PNG
(CHEMBL3793688)
Show SMILES CCCCC(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C24H27N3O3/c1-2-3-4-23(28)30-16-17-5-7-18(8-6-17)22(14-25)24(29)27-21-10-9-20-15-26-12-11-19(20)13-21/h5-13,15,22H,2-4,14,16,25H2,1H3,(H,27,29)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Aerie Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using RSK2 peptide (KKRNRTLTK) as substrate after 180 mins by luminescent kinase assay


Bioorg Med Chem Lett 26: 2475-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.104
BindingDB Entry DOI: 10.7270/Q2VD71CH
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50156676
PNG
(CHEMBL3793185)
Show SMILES CCCc1c(noc1-c1ccccn1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H23N5O4/c1-2-5-18-20(27-32-21(18)19-6-3-4-11-25-19)23-26-22(28-33-23)16-9-7-15(8-10-16)12-29-13-17(14-29)24(30)31/h3-4,6-11,17H,2,5,12-14H2,1H3,(H,30,31)
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Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes assessed as stimulation of [35S]GTPgamma binding incubated ...


Bioorg Med Chem Lett 26: 2470-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.105
BindingDB Entry DOI: 10.7270/Q23T9K3M
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50156676
PNG
(CHEMBL3793185)
Show SMILES CCCc1c(noc1-c1ccccn1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C24H23N5O4/c1-2-5-18-20(27-32-21(18)19-6-3-4-11-25-19)23-26-22(28-33-23)16-9-7-15(8-10-16)12-29-13-17(14-29)24(30)31/h3-4,6-11,17H,2,5,12-14H2,1H3,(H,30,31)
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Article
PubMed
n/an/an/an/a 0.820n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liq...


Bioorg Med Chem Lett 26: 2470-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.105
BindingDB Entry DOI: 10.7270/Q23T9K3M
More data for this
Ligand-Target Pair