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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM356966'   
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


(Homo sapiens (Human))
BDBM356966
PNG
(N-({5-chloro-6-[(cis-1-fluoro-4-hydroxycyclohexyl)...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OC[C@@]4(F)CC[C@H](O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |wU:33.34,29.30,wD:29.29,c:57,(2.25,14.04,;1.48,12.71,;3.02,12.71,;1.48,11.17,;.15,10.39,;-1.18,11.17,;-2.52,10.39,;-2.52,8.86,;-3.85,8.08,;-3.85,6.55,;-2.52,5.78,;-1.18,6.55,;-1.18,8.08,;-2.52,4.23,;-3.85,3.46,;-3.85,1.93,;-2.52,1.16,;-2.52,-.38,;-3.85,-1.16,;-1.18,-1.16,;-1.18,-2.7,;-2.72,-2.7,;.36,-2.7,;-1.18,-4.23,;-2.52,-5,;-2.52,-6.55,;-1.18,-7.32,;-1.18,-8.86,;-2.52,-9.63,;-2.52,-11.17,;-1.18,-10.39,;-3.85,-11.93,;-3.85,-13.48,;-2.52,-14.24,;-2.52,-15.79,;-1.18,-13.48,;-1.18,-11.93,;.15,-6.55,;1.48,-7.32,;.15,-5,;-1.18,1.93,;.15,1.16,;1.48,1.93,;1.48,3.46,;2.82,4.23,;4.15,3.46,;5.61,3.94,;6.52,2.7,;5.61,1.45,;4.15,1.93,;2.82,1.16,;-1.18,3.46,;-1.18,12.71,;.15,13.48,;-2.52,13.48,;-3.85,12.71,;-5.19,13.48,;-5.19,15.01,;-6.52,15.79,;-3.85,15.79,;-2.52,15.01,)|
Show InChI InChI=1S/C45H49Cl2FN6O6S/c1-44(2)13-9-31(38(24-44)29-3-5-32(46)6-4-29)27-53-17-19-54(20-18-53)33-7-8-37(40(22-33)60-35-21-30-12-16-49-41(30)50-25-35)42(56)52-61(57,58)36-23-39(47)43(51-26-36)59-28-45(48)14-10-34(55)11-15-45/h3-8,12,16,21-23,25-26,34,55H,9-11,13-15,17-20,24,27-28H2,1-2H3,(H,49,50)(H,52,56)/t34-,45+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
TR-FRET (Time-Resolved Fluorescence-Resonance-Energy-Transfer) assay.


US Patent US10213433 (2019)


BindingDB Entry DOI: 10.7270/Q23F4RZ6
More data for this
Ligand-Target Pair