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SMILES: C[C@@]1(O)C[C@H]2C[C@@H]1C[C@@H]2COc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=BESVQSQTRRTQCW-WEWYDHJMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 356959   
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
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356959
PNG
(N-[(5-chloro-6-{[(1R,2S,4R,5R)-5-hydroxy-5-methylb...)
Show SMILES C[C@@]1(O)C[C@H]2C[C@@H]1C[C@@H]2COc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51|
Show InChI InChI=1S/C47H52Cl2N6O6S/c1-46(2)12-10-31(40(24-46)29-4-6-35(48)7-5-29)27-54-14-16-55(17-15-54)36-8-9-39(42(21-36)61-37-20-30-11-13-50-43(30)51-25-37)44(56)53-62(58,59)38-22-41(49)45(52-26-38)60-28-33-19-34-18-32(33)23-47(34,3)57/h4-9,11,13,20-22,25-26,32-34,57H,10,12,14-19,23-24,27-28H2,1-3H3,(H,50,51)(H,53,56)/t32-,33-,34-,47-/m1/s1
PDB

UniProtKB/SwissProt

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


TBA

Assay Description
The inhibition constant (Ki) for binding of representative compounds to Bcl-2 protein, as determined by a TR-FRET (Time-Resolved Fluorescence-Resonan...


Citation and Details

BindingDB Entry DOI: 10.7270/Q21V5J59
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM356959
PNG
(N-[(5-chloro-6-{[(1R,2S,4R,5R)-5-hydroxy-5-methylb...)
Show SMILES C[C@@]1(O)C[C@H]2C[C@@H]1C[C@@H]2COc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:51|
Show InChI InChI=1S/C47H52Cl2N6O6S/c1-46(2)12-10-31(40(24-46)29-4-6-35(48)7-5-29)27-54-14-16-55(17-15-54)36-8-9-39(42(21-36)61-37-20-30-11-13-50-43(30)51-25-37)44(56)53-62(58,59)38-22-41(49)45(52-26-38)60-28-33-19-34-18-32(33)23-47(34,3)57/h4-9,11,13,20-22,25-26,32-34,57H,10,12,14-19,23-24,27-28H2,1-3H3,(H,50,51)(H,53,56)/t32-,33-,34-,47-/m1/s1
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