Found 2 hits for monomerid = 189772 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)) | BDBM189772
(US9174982, 344 | US9174982, 352)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(8.08,-9.06,;7.26,-7.76,;8.8,-7.81,;7.26,-6.22,;5.93,-5.45,;4.59,-6.22,;3.26,-5.45,;3.26,-3.91,;4.59,-3.14,;4.59,-1.6,;3.26,-.83,;1.92,-1.6,;1.92,-3.14,;3.26,.71,;4.59,1.48,;4.59,3.02,;3.26,3.79,;3.26,5.33,;4.59,6.1,;1.92,6.1,;1.92,7.64,;1.92,9.18,;3.46,7.64,;.38,7.64,;-.39,6.31,;-1.93,6.31,;-2.7,7.64,;-4.24,7.64,;-5.01,6.31,;-6.55,6.31,;-7.32,4.97,;-8.86,4.97,;-9.63,6.31,;-10.99,5.59,;-10.99,7.03,;-8.86,7.64,;-7.32,7.64,;-1.93,8.98,;-.39,8.98,;-2.7,10.31,;-1.93,11.64,;-4.24,10.31,;1.92,3.02,;.59,3.79,;-.74,3.02,;-.74,1.48,;-2.08,.71,;-3.41,1.48,;-4.87,1.01,;-5.78,2.25,;-4.87,3.5,;-3.41,3.02,;-2.08,3.79,;1.92,1.48,;4.59,-7.76,;5.93,-8.53,;3.26,-8.53,;3.26,-10.07,;1.92,-10.84,;.59,-10.07,;-.74,-10.84,;.59,-8.53,;1.92,-7.76,)| Show InChI InChI=1S/C47H53ClN6O8S/c1-46(2)16-14-34(40(27-46)32-4-6-35(48)7-5-32)29-52-20-22-53(23-21-52)36-8-10-39(43(25-36)62-37-24-33-15-19-49-44(33)50-28-37)45(55)51-63(59,60)38-9-11-42(41(26-38)54(57)58)61-30-31-12-17-47(3,56)18-13-31/h4-11,15,19,24-26,28,31,56H,12-14,16-18,20-23,27,29-30H2,1-3H3,(H,49,50)(H,51,55) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
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)) | BDBM189772
(US9174982, 344 | US9174982, 352)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCC(C)(O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59,(8.08,-9.06,;7.26,-7.76,;8.8,-7.81,;7.26,-6.22,;5.93,-5.45,;4.59,-6.22,;3.26,-5.45,;3.26,-3.91,;4.59,-3.14,;4.59,-1.6,;3.26,-.83,;1.92,-1.6,;1.92,-3.14,;3.26,.71,;4.59,1.48,;4.59,3.02,;3.26,3.79,;3.26,5.33,;4.59,6.1,;1.92,6.1,;1.92,7.64,;1.92,9.18,;3.46,7.64,;.38,7.64,;-.39,6.31,;-1.93,6.31,;-2.7,7.64,;-4.24,7.64,;-5.01,6.31,;-6.55,6.31,;-7.32,4.97,;-8.86,4.97,;-9.63,6.31,;-10.99,5.59,;-10.99,7.03,;-8.86,7.64,;-7.32,7.64,;-1.93,8.98,;-.39,8.98,;-2.7,10.31,;-1.93,11.64,;-4.24,10.31,;1.92,3.02,;.59,3.79,;-.74,3.02,;-.74,1.48,;-2.08,.71,;-3.41,1.48,;-4.87,1.01,;-5.78,2.25,;-4.87,3.5,;-3.41,3.02,;-2.08,3.79,;1.92,1.48,;4.59,-7.76,;5.93,-8.53,;3.26,-8.53,;3.26,-10.07,;1.92,-10.84,;.59,-10.07,;-.74,-10.84,;.59,-8.53,;1.92,-7.76,)| Show InChI InChI=1S/C47H53ClN6O8S/c1-46(2)16-14-34(40(27-46)32-4-6-35(48)7-5-32)29-52-20-22-53(23-21-52)36-8-10-39(43(25-36)62-37-24-33-15-19-49-44(33)50-28-37)45(55)51-63(59,60)38-9-11-42(41(26-38)54(57)58)61-30-31-12-17-47(3,56)18-13-31/h4-11,15,19,24-26,28,31,56H,12-14,16-18,20-23,27,29-30H2,1-3H3,(H,49,50)(H,51,55) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 0.0140 | -14.8 | 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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