Found 2 hits for monomerid = 429180 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 |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429180
(US10533010, Example I-307 | US11208415, Example I-...)Show SMILES CC(C)CC(=O)NCCc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(8.29,-.52,;9.44,.51,;10.9,.04,;9.12,2.02,;7.65,2.49,;7.33,4,;6.51,1.46,;5.04,1.94,;4.72,3.45,;3.26,3.92,;2.12,2.89,;.65,3.37,;-.49,2.34,;-1.98,2.74,;-2.26,4.25,;-3.61,4.98,;-5.03,4.38,;-5.44,2.82,;-4.53,1.58,;-5.44,.33,;-5.04,-1.16,;-3.55,-1.56,;-3.15,-3.04,;-1.67,-3.44,;-1.27,-4.93,;.22,-5.33,;.62,-6.82,;2.11,-7.21,;-.47,-7.91,;-.07,-9.39,;-1.96,-7.51,;-3.05,-8.6,;-2.36,-6.02,;-6.9,.81,;-8.24,.04,;-9.57,.81,;-9.57,2.35,;-10.9,3.12,;-8.24,3.12,;-8.24,4.66,;-6.99,5.56,;-5.66,4.79,;-7.47,7.03,;-9.01,7.03,;-9.78,8.36,;-9.48,5.56,;-10.82,4.79,;-6.9,2.35,;-2.99,1.58,;-2.22,.24,;.33,4.87,;1.46,5.96,;1.14,7.46,;-.32,7.94,;-.64,9.45,;2.94,5.43,)| Show InChI InChI=1S/C44H51Cl2N5O5/c1-26(2)18-38(53)47-14-13-31-21-32(23-34(22-31)56-25-52)24-50-15-9-16-51-42-36(11-12-37(45)40(42)39-29(5)48-49(7)30(39)6)35(43(51)44(50)54)10-8-17-55-33-19-27(3)41(46)28(4)20-33/h11-12,19-23,25-26H,8-10,13-18,24H2,1-7H3,(H,47,53) | 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)) | BDBM429180
(US10533010, Example I-307 | US11208415, Example I-...)Show SMILES CC(C)CC(=O)NCCc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(8.29,-.52,;9.44,.51,;10.9,.04,;9.12,2.02,;7.65,2.49,;7.33,4,;6.51,1.46,;5.04,1.94,;4.72,3.45,;3.26,3.92,;2.12,2.89,;.65,3.37,;-.49,2.34,;-1.98,2.74,;-2.26,4.25,;-3.61,4.98,;-5.03,4.38,;-5.44,2.82,;-4.53,1.58,;-5.44,.33,;-5.04,-1.16,;-3.55,-1.56,;-3.15,-3.04,;-1.67,-3.44,;-1.27,-4.93,;.22,-5.33,;.62,-6.82,;2.11,-7.21,;-.47,-7.91,;-.07,-9.39,;-1.96,-7.51,;-3.05,-8.6,;-2.36,-6.02,;-6.9,.81,;-8.24,.04,;-9.57,.81,;-9.57,2.35,;-10.9,3.12,;-8.24,3.12,;-8.24,4.66,;-6.99,5.56,;-5.66,4.79,;-7.47,7.03,;-9.01,7.03,;-9.78,8.36,;-9.48,5.56,;-10.82,4.79,;-6.9,2.35,;-2.99,1.58,;-2.22,.24,;.33,4.87,;1.46,5.96,;1.14,7.46,;-.32,7.94,;-.64,9.45,;2.94,5.43,)| Show InChI InChI=1S/C44H51Cl2N5O5/c1-26(2)18-38(53)47-14-13-31-21-32(23-34(22-31)56-25-52)24-50-15-9-16-51-42-36(11-12-37(45)40(42)39-29(5)48-49(7)30(39)6)35(43(51)44(50)54)10-8-17-55-33-19-27(3)41(46)28(4)20-33/h11-12,19-23,25-26H,8-10,13-18,24H2,1-7H3,(H,47,53) | 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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