Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM429168' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429168
(US10533010, Example I-293 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)c(CN2CCc3ccccc3C2)o1 |(-2.36,-3.29,;-3.69,-4.06,;-4.17,-5.53,;-5.71,-5.53,;-6.48,-6.86,;-6.18,-4.06,;-7.52,-3.29,;-4.94,-3.16,;-4.94,-1.62,;-6.27,-.85,;-6.27,.69,;-4.94,1.46,;-3.6,.69,;-2.14,1.17,;-1.74,2.66,;-.25,3.06,;.15,4.54,;1.63,4.94,;2.03,6.43,;3.52,6.83,;3.92,8.32,;5.4,8.71,;2.83,9.41,;3.23,10.89,;1.34,9.01,;.25,10.1,;.94,7.52,;-1.23,-.08,;-2.14,-1.32,;-3.6,-.85,;.31,-.08,;1.08,1.26,;1.08,-1.41,;2.62,-1.41,;3.39,-2.74,;4.85,-3.22,;4.85,-4.76,;6.18,-5.53,;6.18,-7.07,;7.52,-4.76,;3.39,-5.23,;2.99,-6.72,;1.5,-7.12,;.41,-6.03,;-1.08,-6.43,;-1.48,-7.92,;-2.96,-8.32,;-3.36,-9.8,;-2.27,-10.89,;-.79,-10.49,;-.39,-9.01,;1.1,-8.61,;2.48,-3.99,)| Show InChI InChI=1S/C42H44ClN5O5/c1-24-18-30(19-25(2)38(24)43)52-17-9-14-33-32-12-8-13-34(37-26(3)46-47(5)27(37)4)39(32)45-40(33)41(49)44-21-31-20-35(42(50)51)36(53-31)23-48-16-15-28-10-6-7-11-29(28)22-48/h6-8,10-13,18-20,45H,9,14-17,21-23H2,1-5H3,(H,44,49)(H,50,51) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429168
(US10533010, Example I-293 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)c(CN2CCc3ccccc3C2)o1 |(-2.36,-3.29,;-3.69,-4.06,;-4.17,-5.53,;-5.71,-5.53,;-6.48,-6.86,;-6.18,-4.06,;-7.52,-3.29,;-4.94,-3.16,;-4.94,-1.62,;-6.27,-.85,;-6.27,.69,;-4.94,1.46,;-3.6,.69,;-2.14,1.17,;-1.74,2.66,;-.25,3.06,;.15,4.54,;1.63,4.94,;2.03,6.43,;3.52,6.83,;3.92,8.32,;5.4,8.71,;2.83,9.41,;3.23,10.89,;1.34,9.01,;.25,10.1,;.94,7.52,;-1.23,-.08,;-2.14,-1.32,;-3.6,-.85,;.31,-.08,;1.08,1.26,;1.08,-1.41,;2.62,-1.41,;3.39,-2.74,;4.85,-3.22,;4.85,-4.76,;6.18,-5.53,;6.18,-7.07,;7.52,-4.76,;3.39,-5.23,;2.99,-6.72,;1.5,-7.12,;.41,-6.03,;-1.08,-6.43,;-1.48,-7.92,;-2.96,-8.32,;-3.36,-9.8,;-2.27,-10.89,;-.79,-10.49,;-.39,-9.01,;1.1,-8.61,;2.48,-3.99,)| Show InChI InChI=1S/C42H44ClN5O5/c1-24-18-30(19-25(2)38(24)43)52-17-9-14-33-32-12-8-13-34(37-26(3)46-47(5)27(37)4)39(32)45-40(33)41(49)44-21-31-20-35(42(50)51)36(53-31)23-48-16-15-28-10-6-7-11-29(28)22-48/h6-8,10-13,18-20,45H,9,14-17,21-23H2,1-5H3,(H,44,49)(H,50,51) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
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