BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 50 hits of kd data for polymerid = 3890,3929   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM218795
PNG
(130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2n/an/an/a7.425



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424209
PNG
(CHEMBL2312470)
Show SMILES Nc1ccc(Sc2ccc3c4c(NCCCc5ccccc5)c(=O)nc4c4cccc2c34)cc1
Show InChI InChI=1S/C29H23N3OS/c30-19-11-13-20(14-12-19)34-24-16-15-22-25-21(24)9-4-10-23(25)27-26(22)28(29(33)32-27)31-17-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-16H,5,8,17,30H2,(H,31,32,33)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 105n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428728
PNG
(CHEMBL2333148)
Show SMILES O=C(NCc1ccccc1)C(=C\C=C\c1ccccc1)\C#N
Show InChI InChI=1S/C19H16N2O/c20-14-18(13-7-12-16-8-3-1-4-9-16)19(22)21-15-17-10-5-2-6-11-17/h1-13H,15H2,(H,21,22)/b12-7+,18-13+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 160n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50308110
PNG
((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...)
Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1
Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 250n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Mcl1 by isothermal titration calorimetry


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424211
PNG
(CHEMBL2312484)
Show SMILES CCCCNc1c2c3ccc(Sc4ccc(N)cc4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C24H21N3OS/c1-2-3-13-26-23-21-17-11-12-19(29-15-9-7-14(25)8-10-15)16-5-4-6-18(20(16)17)22(21)27-24(23)28/h4-12H,2-3,13,25H2,1H3,(H,26,27,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 512n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM109236
PNG
(WEHI-539)
Show SMILES NCc1ccc(OCCCc2sc(nc2C(O)=O)-c2ccc3CCCC(=NNc4nc5ccccc5s4)c3c2)cc1
Show InChI InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a>1.20E+4>550n/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia



Assay Description
The protocols for tight and weak binders were described in Biacore S51 assay set-up with a flow rate of 30 µL/min. For His-Bcl-2 protein assays...


Nat Chem Biol 9: 390-7 (2013)


Article DOI: 10.1038/nchembio.1246
BindingDB Entry DOI: 10.7270/Q2QJ7FZ7
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50424204
PNG
(CHEMBL2312475)
Show SMILES CCCCCCNc1c2c3ccc(Oc4ccc(cc4)C(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C29H30N2O2/c1-4-5-6-7-17-30-28-26-22-15-16-24(33-20-13-11-19(12-14-20)18(2)3)21-9-8-10-23(25(21)22)27(26)31-29(28)32/h8-16,18H,4-7,17H2,1-3H3,(H,30,31,32)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 802n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 954n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50336576
PNG
(3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-...)
Show SMILES O=c1nc2c3cccc4c(ccc(c2c1C#N)c34)N1CCSCC1
Show InChI InChI=1S/C19H13N3OS/c20-10-14-17-12-4-5-15(22-6-8-24-9-7-22)11-2-1-3-13(16(11)12)18(17)21-19(14)23/h1-5H,6-9H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 960n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50425964
PNG
(CHEMBL2314383)
Show SMILES CC(C)c1ccc(Sc2c[nH]c(=O)c(c2)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H22N2O2S/c1-15(2)17-8-10-18(11-9-17)27-19-12-20(22(26)24-14-19)21(25)23-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 980n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ITC assay


Eur J Med Chem 60: 410-20 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.016
BindingDB Entry DOI: 10.7270/Q2959JVC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a>1.00E+3n/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem Lett 21: 4951-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.134
BindingDB Entry DOI: 10.7270/Q2DB8287
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428733
PNG
(CHEMBL2333143)
Show SMILES NC(=O)C(=C\C=C\c1ccccc1)\C#N
Show InChI InChI=1S/C12H10N2O/c13-9-11(12(14)15)8-4-7-10-5-2-1-3-6-10/h1-8H,(H2,14,15)/b7-4+,11-8+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.06E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428724
PNG
(CHEMBL2333152)
Show SMILES CCC(C)(C)c1ccc(Oc2ccc3C(=C(C#N)C#N)C(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C26H20N2O2/c1-4-26(2,3)17-8-10-18(11-9-17)30-22-13-12-20-23(16(14-27)15-28)25(29)21-7-5-6-19(22)24(20)21/h5-13H,4H2,1-3H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.45E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428729
PNG
(CHEMBL2333147)
Show SMILES O=C(CC#N)NCc1ccccc1
Show InChI InChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.58E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50345445
PNG
(8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile |...)
Show SMILES O=c1nc2c3cccc4cccc(c2c1C#N)c34
Show InChI InChI=1S/C15H6N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.83E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50041679
PNG
(CHEMBL3358892)
Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O
Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 1.90E+3n/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCL1 (173 to 329 aa) by isothermal titration calorimetry


ACS Med Chem Lett 5: 1308-12 (2014)


Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428734
PNG
(CHEMBL1927339)
Show SMILES NC(=O)C(=C\c1ccccc1)\C#N
Show InChI InChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.21E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM23223
PNG
(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
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.32E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by ITC assay


Bioorg Med Chem 21: 11-20 (2012)


Article DOI: 10.1016/j.bmc.2012.11.008
BindingDB Entry DOI: 10.7270/Q25X2B7H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50059667
PNG
(CHEMBL3393637)
Show SMILES OC(=O)Cn1cc(nn1)-c1cc(O)c(cc1Cl)C(=O)c1cc(Cl)c(Cl)n1-c1c(Cl)c(Cl)[nH]c1C(=O)c1cc(Cl)c(cc1O)-c1cn(CC(O)=O)nn1
Show InChI InChI=1S/C30H16Cl6N8O8/c31-14-1-12(20(45)3-10(14)17-6-42(40-38-17)8-22(47)48)27(51)19-5-16(33)30(36)44(19)26-24(34)29(35)37-25(26)28(52)13-2-15(32)11(4-21(13)46)18-7-43(41-39-18)9-23(49)50/h1-7,37,45-46H,8-9H2,(H,47,48)(H,49,50)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.50E+3n/an/an/an/an/a



University of Nebraska

Curated by ChEMBL


Assay Description
Binding affinity to Mcl1 (unknown origin) assessed as fluorescence quenching by intrinsic fluorescence spectra


Eur J Med Chem 90: 315-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.035
BindingDB Entry DOI: 10.7270/Q2DV1MJZ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM23223
PNG
(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
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.65E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM23223
PNG
(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
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
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.65E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Mcl1 (unknown origin) expressed in Escherichia coli BL21 by ITC assay


Eur J Med Chem 60: 410-20 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.016
BindingDB Entry DOI: 10.7270/Q2959JVC
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50059666
PNG
(CHEMBL3393634)
Show SMILES Oc1cc(ccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)cc1C(=O)c1ccc(cc1O)P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C22H14Cl4N2O10P2/c23-12-7-13(19(31)10-3-1-8(5-14(10)29)39(33,34)35)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-4-2-9(6-15(11)30)40(36,37)38/h1-7,27,29-30H,(H2,33,34,35)(H2,36,37,38)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.50E+3n/an/an/an/an/a



University of Nebraska

Curated by ChEMBL


Assay Description
Binding affinity to Mcl1 (unknown origin) assessed as fluorescence quenching by intrinsic fluorescence spectra


Eur J Med Chem 90: 315-31 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.035
BindingDB Entry DOI: 10.7270/Q2DV1MJZ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428725
PNG
(CHEMBL2333151)
Show SMILES CC(C)c1ccc(Oc2ccc3C(=C(C#N)C#N)C(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C24H16N2O2/c1-14(2)15-6-8-17(9-7-15)28-21-11-10-19-22(16(12-25)13-26)24(27)20-5-3-4-18(21)23(19)20/h3-11,14H,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.71E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428727
PNG
(CHEMBL2333149)
Show SMILES Clc1ccc(Oc2ccc3C(=C(C#N)C#N)C(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C21H9ClN2O2/c22-13-4-6-14(7-5-13)26-18-9-8-16-19(12(10-23)11-24)21(25)17-3-1-2-15(18)20(16)17/h1-9H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.24E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428730
PNG
(CHEMBL2333146)
Show SMILES CCCNC(=O)CC#N
Show InChI InChI=1S/C6H10N2O/c1-2-5-8-6(9)3-4-7/h2-3,5H2,1H3,(H,8,9)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.28E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428726
PNG
(CHEMBL2333150)
Show SMILES COc1ccc(Oc2ccc3C(=C(C#N)C#N)C(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C22H12N2O3/c1-26-14-5-7-15(8-6-14)27-19-10-9-17-20(13(11-23)12-24)22(25)18-4-2-3-16(19)21(17)18/h2-10H,1H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4.93E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50041679
PNG
(CHEMBL3358892)
Show SMILES C[C@H](N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(cc2)C(F)(F)F)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O)C(O)=O
Show InChI InChI=1S/C30H30F4N4O7S/c1-17-15-38(18(2)28(40)41)27(39)23-5-4-6-24(36-46(43,44)22-13-9-20(31)10-14-22)26(23)45-25(17)16-37(3)29(42)35-21-11-7-19(8-12-21)30(32,33)34/h4-14,17-18,25,36H,15-16H2,1-3H3,(H,35,42)(H,40,41)/t17-,18+,25-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 6.00E+3n/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCL1 (173 to 329 aa) by 19F NMR spectroscopy


ACS Med Chem Lett 5: 1308-12 (2014)


Article DOI: 10.1021/ml500388q
BindingDB Entry DOI: 10.7270/Q2FN17VP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428731
PNG
(CHEMBL2333145)
Show SMILES CCNC(=O)CC#N
Show InChI InChI=1S/C5H8N2O/c1-2-7-5(8)3-4-6/h2-3H2,1H3,(H,7,8)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.65E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50308110
PNG
((S,Z)-2-(5-((6-(2,3-dimethoxyphenyl)pyridin-3-yl)m...)
Show SMILES COc1cccc(c1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1
Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-10-6-9-18(23(21)33-2)19-12-11-17(15-27-19)14-22-24(29)28(26(34)35-22)20(25(30)31)13-16-7-4-3-5-8-16/h3-12,14-15,20H,13H2,1-2H3,(H,30,31)/b22-14-/t20-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.90E+3n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50308111
PNG
((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...)
Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1
Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 8.00E+3n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428732
PNG
(CHEMBL2333144)
Show SMILES CNC(=O)CC#N
Show InChI InChI=1S/C4H6N2O/c1-6-4(7)2-3-5/h2H2,1H3,(H,6,7)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.27E+3n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM21400
PNG
(CHEMBL192571 | N-[(4-{[(2R)-4-(dimethylamino)-1-(p...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1
Show InChI InChI=1S/C32H41N5O5S2/c1-32(2)17-20-36(21-18-32)26-12-10-24(11-13-26)31(38)34-44(41,42)28-14-15-29(30(22-28)37(39)40)33-25(16-19-35(3)4)23-43-27-8-6-5-7-9-27/h5-15,22,25,33H,16-21,23H2,1-4H3,(H,34,38)/t25-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a>1.00E+4n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Mcl1


J Med Chem 49: 1165-81 (2006)


Article DOI: 10.1021/jm050754u
BindingDB Entry DOI: 10.7270/Q2VM4BT0
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50308111
PNG
((S,Z)-2-(5-((6-(3,4-dimethoxyphenyl)pyridin-3-yl)m...)
Show SMILES COc1ccc(cc1OC)-c1ccc(\C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(O)=O)C2=O)cn1
Show InChI InChI=1S/C26H22N2O5S2/c1-32-21-11-9-18(14-22(21)33-2)19-10-8-17(15-27-19)13-23-24(29)28(26(34)35-23)20(25(30)31)12-16-6-4-3-5-7-16/h3-11,13-15,20H,12H2,1-2H3,(H,30,31)/b23-13-/t20-/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Mcl1 by isothermal titration calorimetry


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428735
PNG
(CHEMBL2333142 | Cyanoacetamide)
Show SMILES NC(=O)CC#N
Show InChI InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.35E+4n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50020938
PNG
(CHEMBL3287301)
Show SMILES OC(=O)c1nc(sc1CCCOc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C30H26N4O4S2/c35-27(33-29-31-23-12-4-5-13-24(23)39-29)21-11-6-8-19-15-16-34(18-22(19)21)30-32-26(28(36)37)25(40-30)14-7-17-38-20-9-2-1-3-10-20/h1-6,8-13H,7,14-18H2,(H,36,37)(H,31,33,35)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.44E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50020930
PNG
(CHEMBL3287293)
Show SMILES OC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C21H16N4O3S2/c26-18(24-20-22-15-6-1-2-7-17(15)30-20)13-5-3-4-12-8-9-25(10-14(12)13)21-23-16(11-29-21)19(27)28/h1-7,11H,8-10H2,(H,27,28)(H,22,24,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>2.00E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50020929
PNG
(CHEMBL3287292)
Show SMILES OC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C23H18N4O3S/c28-21(26-23-25-17-7-1-2-9-19(17)31-23)15-6-3-5-14-11-12-27(13-16(14)15)20-10-4-8-18(24-20)22(29)30/h1-10H,11-13H2,(H,29,30)(H,25,26,28)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a>2.00E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to Mcl-1 (unknown origin) by surface plasmon resonance assay


ACS Med Chem Lett 5: 662-7 (2014)


Article DOI: 10.1021/ml500030p
BindingDB Entry DOI: 10.7270/Q2KP83QG
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262597
PNG
(CHEMBL453437 | [(2S,3R,4S)-1-(Biphenyl-4-carbonyl)...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C41H38N2O8/c1-49-22-23-50-26-51-33-20-21-35-34(24-33)38(42-40(47)31-16-12-29(13-17-31)27-8-4-2-5-9-27)39(46)36(25-37(44)45)43(35)41(48)32-18-14-30(15-19-32)28-10-6-3-7-11-28/h2-21,24,36,38-39,46H,22-23,25-26H2,1H3,(H,42,47)(H,44,45)/t36-,38-,39-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.50E+4n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled Bak-BH3 peptide from human Mcl1 by fluorescence polarization assay


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50425963
PNG
(CHEMBL2314369)
Show SMILES O=C1C(=C(C#N)C#N)c2cccc3cccc1c23
Show InChI InChI=1S/C15H6N2O/c16-7-10(8-17)14-11-5-1-3-9-4-2-6-12(13(9)11)15(14)18/h1-6H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.23E+4n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50107130
PNG
((Z)-2-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazo...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/c2ccc(Br)cc2)C1=O)C(O)=O
Show InChI InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 8.40E+4n/an/an/an/an/a



Institute of Chemical and Engineering Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Mcl1 by isothermal titration calorimetry


J Med Chem 53: 2314-8 (2010)


Article DOI: 10.1021/jm901469p
BindingDB Entry DOI: 10.7270/Q2K937NJ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262594
PNG
((2S,3R,4S)-4-[(Biphenyl-4-carbonyl)-amino]-2-carbo...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1)C(=O)OCC[Si](C)(C)C
Show InChI InChI=1S/C34H42N2O9Si/c1-42-16-17-43-22-45-26-14-15-28-27(20-26)31(35-33(40)25-12-10-24(11-13-25)23-8-6-5-7-9-23)32(39)29(21-30(37)38)36(28)34(41)44-18-19-46(2,3)4/h5-15,20,29,31-32,39H,16-19,21-22H2,1-4H3,(H,35,40)(H,37,38)/t29-,31-,32-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262593
PNG
(2-((2S,3R,4S)-4-(2-naphthamido)-3-hydroxy-6-((2-me...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc4ccccc4c3)c2c1)C(=O)OCC[Si](C)(C)C
Show InChI InChI=1S/C32H40N2O9Si/c1-40-13-14-41-20-43-24-11-12-26-25(18-24)29(33-31(38)23-10-9-21-7-5-6-8-22(21)17-23)30(37)27(19-28(35)36)34(26)32(39)42-15-16-44(2,3)4/h5-12,17-18,27,29-30,37H,13-16,19-20H2,1-4H3,(H,33,38)(H,35,36)/t27-,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262596
PNG
(2-((2S,3R,4S)-4-(2-naphthamido)-1-(2-naphthoyl)-3-...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)c3ccc4ccccc4c3)c2c1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C37H34N2O8/c1-45-16-17-46-22-47-29-14-15-31-30(20-29)34(38-36(43)27-12-10-23-6-2-4-8-25(23)18-27)35(42)32(21-33(40)41)39(31)37(44)28-13-11-24-7-3-5-9-26(24)19-28/h2-15,18-20,32,34-35,42H,16-17,21-22H2,1H3,(H,38,43)(H,40,41)/t32-,34-,35-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262591
PNG
(CHEMBL459561 | [(2S,3R,4S)-4-Allyloxycarbonylamino...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H34N2O9/c1-3-15-42-32(39)33-29-25-18-24(43-20-41-17-16-40-2)13-14-26(25)34(27(30(29)37)19-28(35)36)31(38)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h3-14,18,27,29-30,37H,1,15-17,19-20H2,2H3,(H,33,39)(H,35,36)/t27-,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM22853
PNG
(1,2-Dione-Based Compound, 10 | 1,2-dihydroacenapht...)
Show SMILES O=c1c2cccc3cccc(c23)c1=O
Show InChI InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 3.25E+5n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog


(Mus musculus (Mouse))
BDBM50262590
PNG
(2-((2S,3R,4S)-1-(2-naphthoyl)-4-(allyloxycarbonyl)...)
Show SMILES COCCOCOc1ccc2N([C@@H](CC(O)=O)[C@H](O)[C@@H](NC(=O)OCC=C)c2c1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H32N2O9/c1-3-12-40-30(37)31-27-23-16-22(41-18-39-14-13-38-2)10-11-24(23)32(25(28(27)35)17-26(33)34)29(36)21-9-8-19-6-4-5-7-20(19)15-21/h3-11,15-16,25,27-28,35H,1,12-14,17-18H2,2H3,(H,31,37)(H,33,34)/t25-,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.00E+5n/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mouse Mcl-1 expressed in Escherichia coli BL21 cells


Bioorg Med Chem 16: 7443-9 (2008)


Article DOI: 10.1016/j.bmc.2008.06.023
BindingDB Entry DOI: 10.7270/Q29023K1
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50428736
PNG
(CHEMBL2333141 | Thiomorpholine)
Show SMILES C1CSCCN1
Show InChI InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by ITC analysis


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (human))
BDBM50160008
PNG
(CHEMBL3785755)
Show SMILES Oc1ccccc1-c1cc([nH]n1)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C11H7F5N2O/c12-10(13,11(14,15)16)9-5-7(17-18-9)6-3-1-2-4-8(6)19/h1-5,19H,(H,17,18)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.50E+6n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) in presence of 6-chloro-3-(3-(4-c...


J Med Chem 59: 2054-66 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01660
BindingDB Entry DOI: 10.7270/Q2F191MW
More data for this
Ligand-Target Pair