Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM429181' 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)) | BDBM429181
(US10533010, Example I-309 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(=O)NS(=O)(=O)c4ccc(OCc5ccccc5)cc4)CCCn3c12 |(-6.14,4.12,;-7.48,4.89,;-7.95,6.35,;-9.49,6.35,;-10.26,7.69,;-9.97,4.89,;-11.3,4.12,;-8.72,3.98,;-8.72,2.44,;-10.06,1.67,;-11.39,2.44,;-10.06,.13,;-8.72,-.64,;-7.39,.13,;-5.93,-.34,;-5.53,-1.83,;-4.04,-2.23,;-3.64,-3.72,;-2.15,-4.11,;-1.75,-5.6,;-.27,-6,;.13,-7.49,;1.62,-7.89,;-.96,-8.58,;-.56,-10.07,;-2.45,-8.18,;-3.53,-9.27,;-2.84,-6.69,;-5.02,.9,;-3.48,.9,;-2.71,-.43,;-2.47,2.06,;-.93,2.06,;-.16,3.4,;1.38,3.4,;2.15,4.73,;1.38,6.06,;-.16,6.06,;-.93,4.73,;2.15,7.4,;1.38,8.73,;3.69,7.4,;4.46,8.73,;3.13,9.5,;5.23,10.07,;6,8.73,;6.77,7.4,;8.31,7.4,;9.08,8.73,;10.62,8.73,;11.39,7.4,;10.62,6.06,;9.08,6.06,;8.31,4.73,;9.08,3.4,;10.62,3.4,;11.39,4.73,;8.31,10.07,;6.77,10.07,;-2.74,3.58,;-4.1,4.31,;-5.52,3.7,;-5.93,2.15,;-7.39,1.67,)| Show InChI InChI=1S/C50H49Cl2N5O6S/c1-31-27-39(28-32(2)46(31)52)62-26-9-13-41-42-22-23-43(51)45(44-33(3)53-55(5)34(44)4)47(42)57-25-10-24-56(50(59)48(41)57)29-35-14-16-37(17-15-35)49(58)54-64(60,61)40-20-18-38(19-21-40)63-30-36-11-7-6-8-12-36/h6-8,11-12,14-23,27-28H,9-10,13,24-26,29-30H2,1-5H3,(H,54,58) | 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)) | BDBM429181
(US10533010, Example I-309 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(=O)NS(=O)(=O)c4ccc(OCc5ccccc5)cc4)CCCn3c12 |(-6.14,4.12,;-7.48,4.89,;-7.95,6.35,;-9.49,6.35,;-10.26,7.69,;-9.97,4.89,;-11.3,4.12,;-8.72,3.98,;-8.72,2.44,;-10.06,1.67,;-11.39,2.44,;-10.06,.13,;-8.72,-.64,;-7.39,.13,;-5.93,-.34,;-5.53,-1.83,;-4.04,-2.23,;-3.64,-3.72,;-2.15,-4.11,;-1.75,-5.6,;-.27,-6,;.13,-7.49,;1.62,-7.89,;-.96,-8.58,;-.56,-10.07,;-2.45,-8.18,;-3.53,-9.27,;-2.84,-6.69,;-5.02,.9,;-3.48,.9,;-2.71,-.43,;-2.47,2.06,;-.93,2.06,;-.16,3.4,;1.38,3.4,;2.15,4.73,;1.38,6.06,;-.16,6.06,;-.93,4.73,;2.15,7.4,;1.38,8.73,;3.69,7.4,;4.46,8.73,;3.13,9.5,;5.23,10.07,;6,8.73,;6.77,7.4,;8.31,7.4,;9.08,8.73,;10.62,8.73,;11.39,7.4,;10.62,6.06,;9.08,6.06,;8.31,4.73,;9.08,3.4,;10.62,3.4,;11.39,4.73,;8.31,10.07,;6.77,10.07,;-2.74,3.58,;-4.1,4.31,;-5.52,3.7,;-5.93,2.15,;-7.39,1.67,)| Show InChI InChI=1S/C50H49Cl2N5O6S/c1-31-27-39(28-32(2)46(31)52)62-26-9-13-41-42-22-23-43(51)45(44-33(3)53-55(5)34(44)4)47(42)57-25-10-24-56(50(59)48(41)57)29-35-14-16-37(17-15-35)49(58)54-64(60,61)40-20-18-38(19-21-40)63-30-36-11-7-6-8-12-36/h6-8,11-12,14-23,27-28H,9-10,13,24-26,29-30H2,1-5H3,(H,54,58) | 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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