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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50286880   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile salt-activated lipase


(Bos taurus)
BDBM50286880
PNG
(Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...)
Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)|
Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Bioorg Med Chem Lett 6: 43-46 (1996)


Article DOI: 10.1016/0960-894X(95)00549-9
BindingDB Entry DOI: 10.7270/Q2RV0NPW
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Bos taurus)
BDBM50286880
PNG
(Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...)
Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)|
Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant of the compound (KI) for the Pancreatic cholesterol esterase-catalyzed hydrolysis of 4-nitrophenyl butyrate


Bioorg Med Chem Lett 6: 43-46 (1996)


Article DOI: 10.1016/0960-894X(95)00549-9
BindingDB Entry DOI: 10.7270/Q2RV0NPW
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Bos taurus)
BDBM50286880
PNG
(Butyric acid 2'-butylcarbamoyloxy-[1,1']binaphthal...)
Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)|
Show InChI InChI=1S/C29H29NO4/c1-3-5-19-30-29(32)34-25-18-16-21-12-7-9-14-23(21)28(25)27-22-13-8-6-11-20(22)15-17-24(27)33-26(31)10-4-2/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,30,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2 (KDR)


Bioorg Med Chem Lett 6: 43-46 (1996)


Article DOI: 10.1016/0960-894X(95)00549-9
BindingDB Entry DOI: 10.7270/Q2RV0NPW
More data for this
Ligand-Target Pair