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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 178842   
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
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178842
PNG
(US9125913, 414)
Show SMILES COC1CCC(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46,(17.62,-8.45,;16.29,-9.22,;14.96,-8.45,;14.96,-6.91,;13.62,-6.14,;12.29,-6.91,;10.96,-6.14,;9.62,-6.91,;8.29,-6.14,;6.95,-6.91,;5.62,-6.14,;5.62,-4.6,;6.95,-3.83,;8.29,-4.6,;9.62,-3.83,;4.29,-3.83,;5.06,-2.5,;3.52,-5.17,;2.95,-3.06,;1.62,-3.83,;1.62,-5.37,;.29,-3.06,;-1.05,-3.83,;-2.38,-3.06,;-2.38,-1.52,;-1.05,-.75,;.29,-1.52,;1.62,-.75,;1.62,.79,;2.95,1.56,;2.95,3.1,;1.62,3.87,;.29,3.1,;-1.18,3.57,;-2.08,2.33,;-1.18,1.08,;.29,1.56,;-3.71,-.75,;-5.05,-1.52,;-6.38,-.75,;-6.38,.79,;-7.72,1.56,;-7.72,3.1,;-9.05,3.87,;-9.05,5.41,;-7.72,6.18,;-8.44,7.54,;-6.99,7.54,;-6.38,5.41,;-6.38,3.87,;-10.38,3.1,;-10.38,1.56,;-11.72,.79,;-13.05,1.56,;-14.38,.79,;-13.05,3.1,;-11.72,3.87,;-5.05,1.56,;-3.71,.79,;12.29,-8.45,;13.62,-9.22,)|
Show InChI InChI=1S/C46H52Cl2N6O6S/c1-46(2)18-17-32(38(25-46)31-9-11-33(47)12-10-31)28-53-19-21-54(22-20-53)34-13-16-37(43(23-34)60-42-6-4-5-41-39(42)27-50-51-41)44(55)52-61(56,57)36-24-40(48)45(49-26-36)59-29-30-7-14-35(58-3)15-8-30/h4-6,9-13,16,23-24,26-27,30,35H,7-8,14-15,17-22,25,28-29H2,1-3H3,(H,50,51)(H,52,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.00700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Mus musculus (Mouse))
BDBM178842
PNG
(US9125913, 414)
Show SMILES COC1CCC(COc2ncc(cc2Cl)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]ncc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |t:46,(17.62,-8.45,;16.29,-9.22,;14.96,-8.45,;14.96,-6.91,;13.62,-6.14,;12.29,-6.91,;10.96,-6.14,;9.62,-6.91,;8.29,-6.14,;6.95,-6.91,;5.62,-6.14,;5.62,-4.6,;6.95,-3.83,;8.29,-4.6,;9.62,-3.83,;4.29,-3.83,;5.06,-2.5,;3.52,-5.17,;2.95,-3.06,;1.62,-3.83,;1.62,-5.37,;.29,-3.06,;-1.05,-3.83,;-2.38,-3.06,;-2.38,-1.52,;-1.05,-.75,;.29,-1.52,;1.62,-.75,;1.62,.79,;2.95,1.56,;2.95,3.1,;1.62,3.87,;.29,3.1,;-1.18,3.57,;-2.08,2.33,;-1.18,1.08,;.29,1.56,;-3.71,-.75,;-5.05,-1.52,;-6.38,-.75,;-6.38,.79,;-7.72,1.56,;-7.72,3.1,;-9.05,3.87,;-9.05,5.41,;-7.72,6.18,;-8.44,7.54,;-6.99,7.54,;-6.38,5.41,;-6.38,3.87,;-10.38,3.1,;-10.38,1.56,;-11.72,.79,;-13.05,1.56,;-14.38,.79,;-13.05,3.1,;-11.72,3.87,;-5.05,1.56,;-3.71,.79,;12.29,-8.45,;13.62,-9.22,)|
Show InChI InChI=1S/C46H52Cl2N6O6S/c1-46(2)18-17-32(38(25-46)31-9-11-33(47)12-10-31)28-53-19-21-54(22-20-53)34-13-16-37(43(23-34)60-42-6-4-5-41-39(42)27-50-51-41)44(55)52-61(56,57)36-24-40(48)45(49-26-36)59-29-30-7-14-35(58-3)15-8-30/h4-6,9-13,16,23-24,26-27,30,35H,7-8,14-15,17-22,25,28-29H2,1-3H3,(H,50,51)(H,52,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
95.6n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair