Found 3 hits for monomerid = 189769 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)) | BDBM189769
(US10213433, Compound 340 | US11369599, Compound 34...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CCC#N)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:65,(11.49,-10.55,;10.67,-9.24,;12.21,-9.29,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;6.67,-6.93,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;8,4.62,;8,6.16,;9.54,6.16,;6.46,6.16,;8,7.7,;6.67,8.47,;6.67,10.01,;8,10.78,;8,12.32,;6.67,13.09,;5.33,12.32,;4,13.09,;4,14.63,;5.33,15.4,;6.67,14.63,;2.67,15.4,;2.67,16.94,;1.33,17.71,;1.33,19.25,;1.33,20.79,;1.33,14.63,;.56,13.3,;-.21,14.63,;9.34,10.01,;9.34,8.47,;10.67,10.78,;10.67,12.32,;12,10.01,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.33,,;8,-9.24,;9.34,-10.01,;6.67,-10.01,;6.67,-11.55,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C51H58ClN9O6S/c1-51(2)20-18-36(45(31-51)34-4-6-37(52)7-5-34)33-58-24-26-59(27-25-58)41-14-16-44(48(29-41)67-42-28-35-19-22-54-49(35)55-32-42)50(62)57-68(65,66)43-15-17-46(47(30-43)61(63)64)56-38-8-10-39(11-9-38)60(23-3-21-53)40-12-13-40/h4-7,14-17,19,22,28-30,32,38-40,56H,3,8-13,18,20,23-27,31,33H2,1-2H3,(H,54,55)(H,57,62) | PDB
UniProtKB/SwissProt
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 | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM189769
(US10213433, Compound 340 | US11369599, Compound 34...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CCC#N)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:65,(11.49,-10.55,;10.67,-9.24,;12.21,-9.29,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;6.67,-6.93,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;8,4.62,;8,6.16,;9.54,6.16,;6.46,6.16,;8,7.7,;6.67,8.47,;6.67,10.01,;8,10.78,;8,12.32,;6.67,13.09,;5.33,12.32,;4,13.09,;4,14.63,;5.33,15.4,;6.67,14.63,;2.67,15.4,;2.67,16.94,;1.33,17.71,;1.33,19.25,;1.33,20.79,;1.33,14.63,;.56,13.3,;-.21,14.63,;9.34,10.01,;9.34,8.47,;10.67,10.78,;10.67,12.32,;12,10.01,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.33,,;8,-9.24,;9.34,-10.01,;6.67,-10.01,;6.67,-11.55,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C51H58ClN9O6S/c1-51(2)20-18-36(45(31-51)34-4-6-37(52)7-5-34)33-58-24-26-59(27-25-58)41-14-16-44(48(29-41)67-42-28-35-19-22-54-49(35)55-32-42)50(62)57-68(65,66)43-15-17-46(47(30-43)61(63)64)56-38-8-10-39(11-9-38)60(23-3-21-53)40-12-13-40/h4-7,14-17,19,22,28-30,32,38-40,56H,3,8-13,18,20,23-27,31,33H2,1-2H3,(H,54,55)(H,57,62) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM189769
(US10213433, Compound 340 | US11369599, Compound 34...)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCC(CC4)N(CCC#N)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:65,(11.49,-10.55,;10.67,-9.24,;12.21,-9.29,;10.67,-7.7,;9.34,-6.93,;8,-7.7,;6.67,-6.93,;6.67,-5.39,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-.77,;8,,;8,1.54,;6.67,2.31,;6.67,3.85,;5.33,4.62,;8,4.62,;8,6.16,;9.54,6.16,;6.46,6.16,;8,7.7,;6.67,8.47,;6.67,10.01,;8,10.78,;8,12.32,;6.67,13.09,;5.33,12.32,;4,13.09,;4,14.63,;5.33,15.4,;6.67,14.63,;2.67,15.4,;2.67,16.94,;1.33,17.71,;1.33,19.25,;1.33,20.79,;1.33,14.63,;.56,13.3,;-.21,14.63,;9.34,10.01,;9.34,8.47,;10.67,10.78,;10.67,12.32,;12,10.01,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;5.33,,;8,-9.24,;9.34,-10.01,;6.67,-10.01,;6.67,-11.55,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;4,-10.01,;5.33,-9.24,)| Show InChI InChI=1S/C51H58ClN9O6S/c1-51(2)20-18-36(45(31-51)34-4-6-37(52)7-5-34)33-58-24-26-59(27-25-58)41-14-16-44(48(29-41)67-42-28-35-19-22-54-49(35)55-32-42)50(62)57-68(65,66)43-15-17-46(47(30-43)61(63)64)56-38-8-10-39(11-9-38)60(23-3-21-53)40-12-13-40/h4-7,14-17,19,22,28-30,32,38-40,56H,3,8-13,18,20,23-27,31,33H2,1-2H3,(H,54,55)(H,57,62) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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