Found 49 hits of Enzyme Inhibition Constant Data 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)) | BDBM50206480
(CHEMBL3962531)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C43H51ClN4O10SSi/c1-42(2,3)57-41(51)47-27-33(56-31-20-16-30(17-21-31)29-12-10-9-11-13-29)25-38(47)40(50)45-36(24-28-14-18-32(19-15-28)58-60(7,8)43(4,5)6)39(49)46-59(54,55)34-22-23-35(44)37(26-34)48(52)53/h9-23,26,33,36,38H,24-25,27H2,1-8H3,(H,45,50)(H,46,49)/t33-,36-,38-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206517
(CHEMBL3908357)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H42Cl2N4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-11-15-32(45)16-12-30)24-40(49)42(52)47-38(23-28-9-17-33(18-10-28)58-27-29-7-5-4-6-8-29)41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206524
(CHEMBL3972866)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H44Cl2N4O10S/c1-45(2,3)61-44(54)50-28-36(60-35-19-13-32(14-20-35)31-11-15-33(46)16-12-31)26-41(50)43(53)48-39(42(52)49-62(57,58)37-21-22-38(47)40(27-37)51(55)56)25-30-9-17-34(18-10-30)59-24-23-29-7-5-4-6-8-29/h4-22,27,36,39,41H,23-26,28H2,1-3H3,(H,48,53)(H,49,52)/t36-,39-,41-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206530
(CHEMBL3918764)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C45H44ClN5O12S/c1-28-5-11-31(12-6-28)32-13-19-35(20-14-32)62-36-24-41(49(26-36)44(54)63-45(2,3)4)43(53)47-39(42(52)48-64(59,60)37-21-22-38(46)40(25-37)51(57)58)23-29-9-17-34(18-10-29)61-27-30-7-15-33(16-8-30)50(55)56/h5-22,25,36,39,41H,23-24,26-27H2,1-4H3,(H,47,53)(H,48,52)/t36-,39-,41-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206478
(CHEMBL3899305)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H42BrClN4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-7-5-4-6-8-30)24-40(49)42(52)47-38(41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55)23-28-11-17-33(18-12-28)58-27-29-9-15-32(45)16-10-29/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206520
(CHEMBL3965513)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H41BrCl2N4O10S/c1-44(2,3)61-43(54)50-25-35(60-34-18-10-30(11-19-34)29-8-14-32(46)15-9-29)23-40(50)42(53)48-38(41(52)49-62(57,58)36-20-21-37(47)39(24-36)51(55)56)22-27-6-16-33(17-7-27)59-26-28-4-12-31(45)13-5-28/h4-21,24,35,38,40H,22-23,25-26H2,1-3H3,(H,48,53)(H,49,52)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206479
(CHEMBL3901796)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C48H45ClN4O10S/c1-48(2,3)63-47(56)52-29-39(62-38-21-17-35(18-22-38)33-9-5-4-6-10-33)27-44(52)46(55)50-42(45(54)51-64(59,60)40-23-24-41(49)43(28-40)53(57)58)26-31-14-19-37(20-15-31)61-30-32-13-16-34-11-7-8-12-36(34)25-32/h4-25,28,39,42,44H,26-27,29-30H2,1-3H3,(H,50,55)(H,51,54)/t39-,42-,44-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206538
(CHEMBL3910834)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCCc3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C46H47ClN4O10S/c1-30-10-14-33(15-11-30)34-16-20-36(21-17-34)60-37-27-42(50(29-37)45(54)61-46(2,3)4)44(53)48-40(43(52)49-62(57,58)38-22-23-39(47)41(28-38)51(55)56)26-32-12-18-35(19-13-32)59-25-24-31-8-6-5-7-9-31/h5-23,28,37,40,42H,24-27,29H2,1-4H3,(H,48,53)(H,49,52)/t37-,40-,42-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206568
(CHEMBL3919776)Show SMILES CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C43H48Cl2N4O10S/c1-5-6-7-8-23-57-32-17-9-28(10-18-32)24-37(40(50)47-60(55,56)35-21-22-36(45)38(26-35)49(53)54)46-41(51)39-25-34(27-48(39)42(52)59-43(2,3)4)58-33-19-13-30(14-20-33)29-11-15-31(44)16-12-29/h9-22,26,34,37,39H,5-8,23-25,27H2,1-4H3,(H,46,51)(H,47,50)/t34-,37-,39-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206521
(CHEMBL3892614)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C45H44BrClN4O10S/c1-28-5-11-31(12-6-28)32-13-19-35(20-14-32)60-36-24-41(50(26-36)44(54)61-45(2,3)4)43(53)48-39(42(52)49-62(57,58)37-21-22-38(47)40(25-37)51(55)56)23-29-9-17-34(18-10-29)59-27-30-7-15-33(46)16-8-30/h5-22,25,36,39,41H,23-24,26-27H2,1-4H3,(H,48,53)(H,49,52)/t36-,39-,41-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206542
(CHEMBL3952094)Show SMILES COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(Cl)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r| Show InChI InChI=1S/C51H48Cl2N4O11S/c1-51(2,3)68-50(60)56-30-42(67-41-23-15-37(16-24-41)35-11-17-38(52)18-12-35)28-47(56)49(59)54-45(48(58)55-69(63,64)43-25-26-44(53)46(29-43)57(61)62)27-32-7-19-40(20-8-32)66-31-33-5-9-34(10-6-33)36-13-21-39(65-4)22-14-36/h5-26,29,42,45,47H,27-28,30-31H2,1-4H3,(H,54,59)(H,55,58)/t42-,45-,47-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206534
(CHEMBL3901516)Show SMILES COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C45H45ClN4O10S/c1-28-6-10-30(11-7-28)33-16-20-35(21-17-33)59-36-25-41(49(27-36)44(53)60-45(2,3)4)43(52)47-39(24-29-8-12-31(13-9-29)32-14-18-34(58-5)19-15-32)42(51)48-61(56,57)37-22-23-38(46)40(26-37)50(54)55/h6-23,26,36,39,41H,24-25,27H2,1-5H3,(H,47,52)(H,48,51)/t36-,39-,41-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206523
(CHEMBL3953936)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C49H47ClN4O10S/c1-31-9-14-35(15-10-31)36-17-21-39(22-18-36)63-40-27-45(53(29-40)48(57)64-49(2,3)4)47(56)51-43(46(55)52-65(60,61)41-23-24-42(50)44(28-41)54(58)59)26-32-12-19-38(20-13-32)62-30-33-11-16-34-7-5-6-8-37(34)25-33/h5-25,28,40,43,45H,26-27,29-30H2,1-4H3,(H,51,56)(H,52,55)/t40-,43-,45-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206526
(CHEMBL3956472)Show SMILES CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C41H44Cl2N4O10S/c1-25(2)24-55-30-14-6-26(7-15-30)20-35(38(48)45-58(53,54)33-18-19-34(43)36(22-33)47(51)52)44-39(49)37-21-32(23-46(37)40(50)57-41(3,4)5)56-31-16-10-28(11-17-31)27-8-12-29(42)13-9-27/h6-19,22,25,32,35,37H,20-21,23-24H2,1-5H3,(H,44,49)(H,45,48)/t32-,35-,37-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50206517
(CHEMBL3908357)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H42Cl2N4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-11-15-32(45)16-12-30)24-40(49)42(52)47-38(23-28-9-17-33(18-10-28)58-27-29-7-5-4-6-8-29)41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206519
(CHEMBL3735206)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C37H36BrClN4O9S/c1-37(2,3)52-36(46)42-22-28(51-27-15-11-25(12-16-27)24-7-5-4-6-8-24)20-33(42)35(45)40-31(19-23-9-13-26(38)14-10-23)34(44)41-53(49,50)29-17-18-30(39)32(21-29)43(47)48/h4-18,21,28,31,33H,19-20,22H2,1-3H3,(H,40,45)(H,41,44)/t28-,31-,33-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206537
(CHEMBL3945206)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H39Cl2N5O12S/c1-43(2,3)62-42(53)48-25-34(61-32-16-8-28(9-17-32)27-6-10-29(44)11-7-27)23-39(48)41(52)46-37(40(51)47-63(58,59)35-20-21-36(45)38(24-35)50(56)57)22-26-4-14-31(15-5-26)60-33-18-12-30(13-19-33)49(54)55/h4-21,24,34,37,39H,22-23,25H2,1-3H3,(H,46,52)(H,47,51)/t34-,37-,39-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206540
(CHEMBL3735093)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C38H39ClN4O9S/c1-24-10-12-26(13-11-24)27-14-16-28(17-15-27)51-29-21-34(42(23-29)37(46)52-38(2,3)4)36(45)40-32(20-25-8-6-5-7-9-25)35(44)41-53(49,50)30-18-19-31(39)33(22-30)43(47)48/h5-19,22,29,32,34H,20-21,23H2,1-4H3,(H,40,45)(H,41,44)/t29-,32-,34-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206532
(CHEMBL3945560)Show SMILES COc1ccc(cc1)-c1ccc(COc2ccc(C[C@H](NC(=O)[C@@H]3C[C@@H](CN3C(=O)OC(C)(C)C)Oc3ccc(cc3)-c3ccc(C)cc3)C(=O)NS(=O)(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)cc2)cc1 |r| Show InChI InChI=1S/C52H51ClN4O11S/c1-33-6-12-36(13-7-33)39-18-24-42(25-19-39)67-43-29-48(56(31-43)51(60)68-52(2,3)4)50(59)54-46(49(58)55-69(63,64)44-26-27-45(53)47(30-44)57(61)62)28-34-10-20-41(21-11-34)66-32-35-8-14-37(15-9-35)38-16-22-40(65-5)23-17-38/h6-27,30,43,46,48H,28-29,31-32H2,1-5H3,(H,54,59)(H,55,58)/t43-,46-,48-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206516
(CHEMBL3736460)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H35BrCl2N4O9S/c1-37(2,3)53-36(47)43-21-28(52-27-14-8-24(9-15-27)23-6-12-26(39)13-7-23)19-33(43)35(46)41-31(18-22-4-10-25(38)11-5-22)34(45)42-54(50,51)29-16-17-30(40)32(20-29)44(48)49/h4-17,20,28,31,33H,18-19,21H2,1-3H3,(H,41,46)(H,42,45)/t28-,31-,33-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206536
(CHEMBL3890693)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H42ClN5O12S/c1-44(2,3)62-43(53)48-26-35(61-34-19-13-31(14-20-34)30-7-5-4-6-8-30)24-40(48)42(52)46-38(41(51)47-63(58,59)36-21-22-37(45)39(25-36)50(56)57)23-28-11-17-33(18-12-28)60-27-29-9-15-32(16-10-29)49(54)55/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,46,52)(H,47,51)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206510
(CHEMBL3985300)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H45N3O8S/c1-44(2,3)55-43(50)47-29-37(54-36-25-21-34(22-26-36)33-15-9-5-10-16-33)28-40(47)42(49)45-39(41(48)46-56(51,52)38-17-11-6-12-18-38)27-31-19-23-35(24-20-31)53-30-32-13-7-4-8-14-32/h4-26,37,39-40H,27-30H2,1-3H3,(H,45,49)(H,46,48)/t37-,39-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206529
(CHEMBL3736193)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C38H38BrClN4O9S/c1-23-5-9-25(10-6-23)26-11-15-28(16-12-26)52-29-20-34(43(22-29)37(47)53-38(2,3)4)36(46)41-32(19-24-7-13-27(39)14-8-24)35(45)42-54(50,51)30-17-18-31(40)33(21-30)44(48)49/h5-18,21,29,32,34H,19-20,22H2,1-4H3,(H,41,46)(H,42,45)/t29-,32-,34-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50206524
(CHEMBL3972866)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H44Cl2N4O10S/c1-45(2,3)61-44(54)50-28-36(60-35-19-13-32(14-20-35)31-11-15-33(46)16-12-31)26-41(50)43(53)48-39(42(52)49-62(57,58)37-21-22-38(47)40(27-37)51(55)56)25-30-9-17-34(18-10-30)59-24-23-29-7-5-4-6-8-29/h4-22,27,36,39,41H,23-26,28H2,1-3H3,(H,48,53)(H,49,52)/t36-,39-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206482
(CHEMBL3899665)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H41Cl2N5O12S/c1-44(2,3)63-43(54)49-25-35(62-34-18-10-30(11-19-34)29-8-12-31(45)13-9-29)23-40(49)42(53)47-38(41(52)48-64(59,60)36-20-21-37(46)39(24-36)51(57)58)22-27-6-16-33(17-7-27)61-26-28-4-14-32(15-5-28)50(55)56/h4-21,24,35,38,40H,22-23,25-26H2,1-3H3,(H,47,53)(H,48,52)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50206478
(CHEMBL3899305)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H42BrClN4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)30-7-5-4-6-8-30)24-40(49)42(52)47-38(41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55)23-28-11-17-33(18-12-28)58-27-29-9-15-32(45)16-10-29/h4-22,25,35,38,40H,23-24,26-27H2,1-3H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206525
(CHEMBL3928678)Show SMILES CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C42H47ClN4O10S/c1-26(2)25-55-31-15-9-28(10-16-31)21-36(39(48)45-58(53,54)34-19-20-35(43)37(23-34)47(51)52)44-40(49)38-22-33(24-46(38)41(50)57-42(4,5)6)56-32-17-13-30(14-18-32)29-11-7-27(3)8-12-29/h7-20,23,26,33,36,38H,21-22,24-25H2,1-6H3,(H,44,49)(H,45,48)/t33-,36-,38-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206527
(CHEMBL3893523)Show SMILES CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C40H42Cl2N4O10S/c1-5-20-54-29-14-6-25(7-15-29)21-34(37(47)44-57(52,53)32-18-19-33(42)35(23-32)46(50)51)43-38(48)36-22-31(24-45(36)39(49)56-40(2,3)4)55-30-16-10-27(11-17-30)26-8-12-28(41)13-9-26/h6-19,23,31,34,36H,5,20-22,24H2,1-4H3,(H,43,48)(H,44,47)/t31-,34-,36-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206512
(CHEMBL3892448)Show SMILES CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C41H45ClN4O10S/c1-6-21-54-30-15-9-27(10-16-30)22-35(38(47)44-57(52,53)33-19-20-34(42)36(24-33)46(50)51)43-39(48)37-23-32(25-45(37)40(49)56-41(3,4)5)55-31-17-13-29(14-18-31)28-11-7-26(2)8-12-28/h7-20,24,32,35,37H,6,21-23,25H2,1-5H3,(H,43,48)(H,44,47)/t32-,35-,37-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50206530
(CHEMBL3918764)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccc(cc3)[N+]([O-])=O)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C45H44ClN5O12S/c1-28-5-11-31(12-6-28)32-13-19-35(20-14-32)62-36-24-41(49(26-36)44(54)63-45(2,3)4)43(53)47-39(42(52)48-64(59,60)37-21-22-38(46)40(25-37)51(57)58)23-29-9-17-34(18-10-29)61-27-30-7-15-33(16-8-30)50(55)56/h5-22,25,36,39,41H,23-24,26-27H2,1-4H3,(H,47,53)(H,48,52)/t36-,39-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206541
(CHEMBL3927686)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C44H43ClN4O9S/c1-28-10-14-31(15-11-28)33-18-20-34(21-19-33)57-35-25-40(48(27-35)43(52)58-44(2,3)4)42(51)46-38(24-29-12-16-32(17-13-29)30-8-6-5-7-9-30)41(50)47-59(55,56)36-22-23-37(45)39(26-36)49(53)54/h5-23,26,35,38,40H,24-25,27H2,1-4H3,(H,46,51)(H,47,50)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206522
(CHEMBL3917309)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C44H43ClN4O10S/c1-44(2,3)59-43(52)48-27-35(58-34-20-16-32(17-21-34)31-12-8-5-9-13-31)25-40(48)42(51)46-38(24-29-14-18-33(19-15-29)57-28-30-10-6-4-7-11-30)41(50)47-60(55,56)36-22-23-37(45)39(26-36)49(53)54/h4-23,26,35,38,40H,24-25,27-28H2,1-3H3,(H,46,51)(H,47,50)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206535
(CHEMBL3980896)Show SMILES CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C44H51ClN4O10S/c1-6-7-8-9-24-57-33-18-12-30(13-19-33)25-38(41(50)47-60(55,56)36-22-23-37(45)39(27-36)49(53)54)46-42(51)40-26-35(28-48(40)43(52)59-44(3,4)5)58-34-20-16-32(17-21-34)31-14-10-29(2)11-15-31/h10-23,27,35,38,40H,6-9,24-26,28H2,1-5H3,(H,46,51)(H,47,50)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206533
(CHEMBL3891727)Show SMILES CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C42H48N4O10S/c1-27(2)26-54-33-17-9-29(10-18-33)23-37(39(47)44-57(52,53)36-21-15-32(16-22-36)46(50)51)43-40(48)38-24-35(25-45(38)41(49)56-42(4,5)6)55-34-19-13-31(14-20-34)30-11-7-28(3)8-12-30/h7-22,27,35,37-38H,23-26H2,1-6H3,(H,43,48)(H,44,47)/t35-,37-,38-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206511
(CHEMBL3927341)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C45H45ClN4O10S/c1-29-10-14-32(15-11-29)33-16-20-35(21-17-33)59-36-25-41(49(27-36)44(53)60-45(2,3)4)43(52)47-39(24-30-12-18-34(19-13-30)58-28-31-8-6-5-7-9-31)42(51)48-61(56,57)37-22-23-38(46)40(26-37)50(54)55/h5-23,26,36,39,41H,24-25,27-28H2,1-4H3,(H,47,52)(H,48,51)/t36-,39-,41-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206528
(CHEMBL3981494)Show SMILES CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C41H46N4O10S/c1-6-23-53-32-17-9-28(10-18-32)24-36(38(46)43-56(51,52)35-21-15-31(16-22-35)45(49)50)42-39(47)37-25-34(26-44(37)40(48)55-41(3,4)5)54-33-19-13-30(14-20-33)29-11-7-27(2)8-12-29/h7-22,34,36-37H,6,23-26H2,1-5H3,(H,42,47)(H,43,46)/t34-,36-,37-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50206480
(CHEMBL3962531)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C43H51ClN4O10SSi/c1-42(2,3)57-41(51)47-27-33(56-31-20-16-30(17-21-31)29-12-10-9-11-13-29)25-38(47)40(50)45-36(24-28-14-18-32(19-15-28)58-60(7,8)43(4,5)6)39(49)46-59(54,55)34-22-23-35(44)37(26-34)48(52)53/h9-23,26,33,36,38H,24-25,27H2,1-8H3,(H,45,50)(H,46,49)/t33-,36-,38-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Bcl-2 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206513
(CHEMBL3952775)Show SMILES Cc1ccc(cc1)-c1ccc(O[C@@H]2CN[C@@H](C2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C33H31ClN4O7S/c1-21-7-9-23(10-8-21)24-11-13-25(14-12-24)45-26-18-29(35-20-26)32(39)36-30(17-22-5-3-2-4-6-22)33(40)37-46(43,44)27-15-16-28(34)31(19-27)38(41)42/h2-16,19,26,29-30,35H,17-18,20H2,1H3,(H,36,39)(H,37,40)/t26-,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50206480
(CHEMBL3962531)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C43H51ClN4O10SSi/c1-42(2,3)57-41(51)47-27-33(56-31-20-16-30(17-21-31)29-12-10-9-11-13-29)25-38(47)40(50)45-36(24-28-14-18-32(19-15-28)58-60(7,8)43(4,5)6)39(49)46-59(54,55)34-22-23-35(44)37(26-34)48(52)53/h9-23,26,33,36,38H,24-25,27H2,1-8H3,(H,45,50)(H,46,49)/t33-,36-,38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-DMRPEIWIAQELRRIGDEFNAYYARR binding to Bcl-XL (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition m... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM23223
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)| Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-DMRPEIWIAQELRRIGDEFNAYYARR binding to Bcl-XL (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition m... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206539
(CHEMBL3961955)Show SMILES CC(C)COc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C41H47N3O8S/c1-28(2)27-50-32-20-16-29(17-21-32)24-36(38(45)43-53(48,49)35-14-10-7-11-15-35)42-39(46)37-25-34(26-44(37)40(47)52-41(3,4)5)51-33-22-18-31(19-23-33)30-12-8-6-9-13-30/h6-23,28,34,36-37H,24-27H2,1-5H3,(H,42,46)(H,43,45)/t34-,36-,37-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206481
(CHEMBL3911506)Show SMILES CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C40H45N3O8S/c1-5-24-49-31-20-16-28(17-21-31)25-35(37(44)42-52(47,48)34-14-10-7-11-15-34)41-38(45)36-26-33(27-43(36)39(46)51-40(2,3)4)50-32-22-18-30(19-23-32)29-12-8-6-9-13-29/h6-23,33,35-36H,5,24-27H2,1-4H3,(H,41,45)(H,42,44)/t33-,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206518
(CHEMBL3920440)Show SMILES CCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C40H44N4O10S/c1-5-23-52-31-17-11-27(12-18-31)24-35(37(45)42-55(50,51)34-21-15-30(16-22-34)44(48)49)41-38(46)36-25-33(26-43(36)39(47)54-40(2,3)4)53-32-19-13-29(14-20-32)28-9-7-6-8-10-28/h6-22,33,35-36H,5,23-26H2,1-4H3,(H,41,46)(H,42,45)/t33-,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206567
(CHEMBL3909769)Show SMILES CC(C)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccccc2)C(=O)NS(=O)(=O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C40H45N3O8S/c1-27(2)49-31-20-16-28(17-21-31)24-35(37(44)42-52(47,48)34-14-10-7-11-15-34)41-38(45)36-25-33(26-43(36)39(46)51-40(3,4)5)50-32-22-18-30(19-23-32)29-12-8-6-9-13-29/h6-23,27,33,35-36H,24-26H2,1-5H3,(H,41,45)(H,42,44)/t33-,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206531
(CHEMBL3917665)Show SMILES COc1ccc(cc1)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](CN2C(=O)OC(C)(C)C)Oc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C44H42Cl2N4O10S/c1-44(2,3)60-43(53)49-26-35(59-34-19-13-31(14-20-34)29-9-15-32(45)16-10-29)24-40(49)42(52)47-38(23-27-5-7-28(8-6-27)30-11-17-33(58-4)18-12-30)41(51)48-61(56,57)36-21-22-37(46)39(25-36)50(54)55/h5-22,25,35,38,40H,23-24,26H2,1-4H3,(H,47,52)(H,48,51)/t35-,38-,40-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206515
(CHEMBL3926300)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C48H44Cl2N4O10S/c1-48(2,3)64-47(57)53-28-39(63-38-20-14-34(15-21-38)33-12-16-36(49)17-13-33)26-44(53)46(56)51-42(45(55)52-65(60,61)40-22-23-41(50)43(27-40)54(58)59)25-30-9-18-37(19-10-30)62-29-31-8-11-32-6-4-5-7-35(32)24-31/h4-24,27,39,42,44H,25-26,28-29H2,1-3H3,(H,51,56)(H,52,55)/t39-,42-,44-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50206514
(CHEMBL3908716)Show SMILES CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)Oc1ccc(cc1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H40Cl2N4O9S/c1-43(2,3)58-42(52)48-26-34(57-33-19-15-31(16-20-33)30-13-17-32(44)18-14-30)24-39(48)41(51)46-37(23-27-9-11-29(12-10-27)28-7-5-4-6-8-28)40(50)47-59(55,56)35-21-22-36(45)38(25-35)49(53)54/h4-22,25,34,37,39H,23-24,26H2,1-3H3,(H,46,51)(H,47,50)/t34-,37-,39-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin) preincubated for 30 mins followed by FAM-labeled peptide addition me... |
Bioorg Med Chem 25: 138-152 (2017)
Article DOI: 10.1016/j.bmc.2016.10.020
BindingDB Entry DOI: 10.7270/Q2P84DWQ |
More data for this
Ligand-Target Pair | |
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