Found 2 hits for monomerid = 189778 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM189778
(US11369599, Compound 350 | US9174982, 350)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCC(O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57,(-2.44,-10.6,;-1.63,-9.3,;-3.17,-9.35,;-1.63,-7.76,;-.29,-6.99,;1.04,-7.76,;2.37,-6.99,;2.37,-5.45,;3.71,-4.68,;3.71,-3.14,;2.37,-2.37,;1.04,-3.14,;1.04,-4.68,;2.37,-.83,;3.71,-.06,;3.71,1.48,;2.37,2.25,;2.37,3.79,;1.04,4.56,;3.71,4.56,;5.04,3.79,;5.81,5.13,;4.27,2.46,;6.38,3.02,;6.38,1.48,;7.71,.71,;9.04,1.48,;10.38,.71,;10.38,-.83,;11.71,-1.6,;11.6,-.06,;13.25,-1.54,;14.07,-2.85,;13.34,-4.21,;14.16,-5.51,;11.8,-4.26,;10.99,-2.96,;9.04,3.02,;10.38,3.79,;7.71,3.79,;1.04,1.48,;-.29,2.25,;-1.63,1.48,;-1.63,-.06,;-2.96,-.83,;-4.29,-.06,;-5.76,-.53,;-6.66,.71,;-5.76,1.96,;-4.29,1.48,;-2.96,2.25,;1.04,-.06,;1.04,-9.3,;-.29,-10.07,;2.37,-10.07,;3.71,-9.3,;5.04,-10.07,;5.04,-11.61,;6.38,-12.38,;3.71,-12.38,;2.37,-11.61,)| 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) | PDB
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| | <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM189778
(US11369599, Compound 350 | US9174982, 350)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3cnc(OCC4(F)CCC(O)CC4)c(Cl)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57,(-2.44,-10.6,;-1.63,-9.3,;-3.17,-9.35,;-1.63,-7.76,;-.29,-6.99,;1.04,-7.76,;2.37,-6.99,;2.37,-5.45,;3.71,-4.68,;3.71,-3.14,;2.37,-2.37,;1.04,-3.14,;1.04,-4.68,;2.37,-.83,;3.71,-.06,;3.71,1.48,;2.37,2.25,;2.37,3.79,;1.04,4.56,;3.71,4.56,;5.04,3.79,;5.81,5.13,;4.27,2.46,;6.38,3.02,;6.38,1.48,;7.71,.71,;9.04,1.48,;10.38,.71,;10.38,-.83,;11.71,-1.6,;11.6,-.06,;13.25,-1.54,;14.07,-2.85,;13.34,-4.21,;14.16,-5.51,;11.8,-4.26,;10.99,-2.96,;9.04,3.02,;10.38,3.79,;7.71,3.79,;1.04,1.48,;-.29,2.25,;-1.63,1.48,;-1.63,-.06,;-2.96,-.83,;-4.29,-.06,;-5.76,-.53,;-6.66,.71,;-5.76,1.96,;-4.29,1.48,;-2.96,2.25,;1.04,-.06,;1.04,-9.3,;-.29,-10.07,;2.37,-10.07,;3.71,-9.3,;5.04,-10.07,;5.04,-11.61,;6.38,-12.38,;3.71,-12.38,;2.37,-11.61,)| 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) | PDB
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antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | <-15.0 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
ABBVIE INC.; GENENTECH, INC.; THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH
US Patent
| Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr... |
US Patent US9174982 (2015)
BindingDB Entry DOI: 10.7270/Q2RB73D5 |
More data for this
Ligand-Target Pair | |
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