Found 17183 hits with Last Name = 'kim' and Initial = 'k' 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 |
|---|
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50246899
((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...)Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of PSMA (unknown origin) |
Bioorg Med Chem Lett 28: 572-576 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.047
BindingDB Entry DOI: 10.7270/Q2RN3BGJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Transient receptor potential cation channel subfamily V member 1
(Rattus norvegicus (rat)) | BDBM50366620
(RESINIFERATOXIN)Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26| Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement. |
Bioorg Med Chem Lett 9: 2909-14 (1999)
BindingDB Entry DOI: 10.7270/Q2HT2PTB |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521464
(CHEMBL4469869 | US11596639, Example 78)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
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PC cid
PC sid
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UniChem
| PDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521464
(CHEMBL4469869 | US11596639, Example 78)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
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KEGG
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PC cid
PC sid
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| PDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521464
(CHEMBL4469869 | US11596639, Example 78)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(56.68,-29.59,;57.58,-30.84,;59.12,-30.68,;60.03,-31.93,;61.56,-31.92,;62.47,-30.67,;63.93,-31.14,;65.17,-30.23,;63.94,-32.67,;65.08,-33.69,;64.77,-35.19,;63.31,-35.68,;62.16,-34.65,;62.48,-33.15,;63,-37.18,;64.15,-38.21,;61.54,-37.67,;59.4,-33.33,;60.3,-34.58,;57.87,-33.49,;56.97,-34.74,;56.95,-36.28,;58.28,-37.06,;58.26,-38.6,;59.59,-39.38,;59.57,-40.92,;60.89,-41.7,;60.89,-43.23,;62.22,-44.01,;59.54,-44,;59.53,-45.54,;58.21,-43.21,;56.87,-43.97,;58.23,-41.67,;55.5,-34.27,;54.17,-35.04,;52.83,-34.27,;52.83,-32.73,;51.5,-31.96,;54.16,-31.96,;54.15,-29.06,;52.9,-28.16,;51.44,-28.64,;53.37,-26.7,;54.91,-26.69,;55.82,-25.44,;55.39,-28.15,;56.86,-28.63,;55.5,-32.72,;56.96,-32.25,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-13-10-25(39(48)49)17-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50521465
(CHEMBL4449014 | US11596639, Example 88)Show SMILES C[C@@H]1CN(c2cn(C)c3cc(ccc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(7.6,-25.05,;8.51,-26.3,;10.05,-26.14,;10.96,-27.38,;12.49,-27.38,;13.4,-26.13,;14.86,-26.6,;16.1,-25.69,;14.86,-28.13,;16.01,-29.15,;15.7,-30.65,;14.24,-31.13,;13.09,-30.11,;13.41,-28.61,;16.85,-31.67,;16.54,-33.18,;18.31,-31.18,;10.33,-28.79,;11.23,-30.04,;8.8,-28.95,;7.89,-30.2,;7.88,-31.73,;9.21,-32.52,;9.19,-34.06,;10.52,-34.84,;10.5,-36.38,;11.82,-37.15,;11.81,-38.69,;13.15,-39.47,;10.47,-39.45,;10.46,-40.99,;9.14,-38.67,;7.8,-39.43,;9.16,-37.13,;6.43,-29.72,;5.09,-30.5,;3.76,-29.73,;3.76,-28.19,;2.43,-27.42,;5.09,-27.42,;5.08,-24.52,;3.83,-23.62,;2.37,-24.1,;4.3,-22.15,;5.84,-22.15,;6.74,-20.9,;6.32,-23.61,;7.79,-24.08,;6.43,-28.18,;7.89,-27.7,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-12-13-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-17-25(39(48)49)10-11-29(31)32/h10-13,15-17,19,22H,8-9,14,18H2,1-7H3,(H,48,49)/t22-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of FITC-labeled Bak peptide binding to MBP-fused Mcl-1 (unknown origin) measured after 3 hrs by TR-FRET assay |
J Med Chem 62: 3971-3988 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01991
BindingDB Entry DOI: 10.7270/Q2V69P04 |
More data for this
Ligand-Target Pair | |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50454862
(CHEMBL4211875)Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S([O-])(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S(O)(=O)=O |r,c:9| Show InChI InChI=1S/C74H96N10O30S4/c1-6-83-53-29-24-44-46(38-42(115(103,104)105)40-55(44)117(109,110)111)64(53)73(2,3)57(83)20-9-7-10-21-58-74(4,5)65-47-39-43(116(106,107)108)41-56(118(112,113)114)45(47)25-30-54(65)84(58)37-16-8-11-22-59(85)76-36-17-23-61(87)78-48(66(92)77-35-15-13-19-50(68(95)96)80-72(102)82-52(70(99)100)28-33-63(90)91)26-31-60(86)75-34-14-12-18-49(67(93)94)79-71(101)81-51(69(97)98)27-32-62(88)89/h7,9-10,20-21,24-25,29-30,38-41,48-52H,6,8,11-19,22-23,26-28,31-37H2,1-5H3,(H17-,75,76,77,78,79,80,81,82,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114)/t48-,49-,50-,51-,52-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of PSMA in human LNCaP cell lysates incubated for 2 hrs in presence of N-acetylaspartylglutamate by Amplex red glutamic acid/glutamate oxi... |
Bioorg Med Chem Lett 28: 572-576 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.047
BindingDB Entry DOI: 10.7270/Q2RN3BGJ |
More data for this
Ligand-Target Pair | |
Enteropeptidase
(Homo sapiens (Human)) | BDBM571836
((Z)-3-((6-((4-Carbamimidoyl-2-fluorophenoxy)carbon...)Show SMILES CCn1c2ccc(cc2s\c1=N/CC(C)(C)C(O)=O)C(=O)Oc1ccc(cc1F)C(N)=N | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of the enteropeptidase inhibitor synthesized using the purified Recombinant Human Enteropeptidase and the substrate Acetyl-As... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WD43TB |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596982
(US11596639, Example 579)Show SMILES CCOCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-2.75,8.87,;-1.21,8.87,;-.44,7.53,;1.1,7.53,;1.87,6.2,;3.37,5.87,;4.52,6.89,;5.85,6.11,;5.52,4.6,;6.41,3.35,;5.78,1.95,;6.67,.69,;4.24,1.8,;3.35,3.05,;1.82,2.91,;.91,4.15,;-.62,3.99,;-.62,5.53,;-1.25,2.58,;-.34,1.34,;-1.25,.09,;-.78,-1.37,;.73,-1.7,;1.22,-3.16,;2.72,-3.49,;3.21,-4.95,;4.72,-5.22,;5.25,-6.67,;6.76,-6.99,;4.26,-7.85,;4.73,-9.31,;2.74,-7.58,;1.78,-8.78,;2.22,-6.13,;-2.71,.57,;-4.05,-.2,;-5.38,.57,;-5.38,2.11,;-6.75,2.81,;-4.05,2.88,;-4.05,4.42,;-5.29,5.32,;-6.76,4.85,;-4.82,6.79,;-3.28,6.79,;-2.51,8.12,;-2.8,5.32,;-1.34,4.85,;-2.71,2.11,;1.19,1.5,;2.08,.25,;3.99,4.45,;4.38,8.42,;5.63,9.31,;2.97,9.06,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596983
(US11596639, Example 580)Show SMILES C[C@@H]1CN(c2cn(CCN(C)C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nc(CN5CCN(C)CC5)nc4C)c3n12 |r,wD:1.0,(-.83,4.13,;-.83,2.59,;.7,2.75,;1.61,1.5,;3.14,1.66,;4.2,.55,;5.59,1.21,;6.92,.44,;6.92,-1.1,;8.26,-1.87,;9.59,-1.1,;8.26,-3.41,;5.39,2.74,;6.39,3.91,;5.87,5.36,;4.36,5.64,;3.36,4.47,;3.87,3.02,;3.85,7.09,;2.33,7.37,;4.85,8.26,;.98,.1,;1.88,-1.16,;-.55,-.06,;-1.46,-1.31,;-.98,-2.78,;.52,-3.1,;1.01,-4.57,;2.51,-4.89,;3,-6.36,;4.52,-6.62,;5.04,-8.07,;6.55,-8.39,;4.05,-9.25,;4.52,-10.72,;2.53,-8.98,;1.57,-10.18,;2.01,-7.53,;-2.92,-.83,;-4.25,-1.6,;-5.59,-.83,;-5.59,.71,;-6.96,1.41,;-4.25,1.48,;-4.25,3.02,;-2.92,3.79,;-1.59,3.02,;-2.92,5.33,;-4.25,6.1,;-4.25,7.64,;-5.59,8.41,;-5.59,9.95,;-6.92,10.72,;-8.26,9.95,;-9.59,10.72,;-8.26,8.41,;-6.92,7.64,;-5.59,5.33,;-5.59,3.79,;-6.92,3.02,;-2.92,.71,;-1.46,1.18,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596987
(US11596639, Example 584)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)ncnc4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3cc(C)ccn3)c12 |r,wD:1.0,(-1.93,4.42,;-1.93,2.88,;-.39,3.04,;.51,1.8,;-.11,.39,;.78,-.86,;-1.65,.23,;-2.55,-1.02,;-2.08,-2.48,;-.57,-2.81,;-.09,-4.27,;1.42,-4.6,;1.9,-6.06,;3.42,-6.33,;3.95,-7.78,;5.45,-8.1,;2.96,-8.96,;3.43,-10.42,;1.44,-8.69,;.47,-9.89,;.91,-7.24,;-4.02,-.54,;-5.35,-1.31,;-6.68,-.54,;-6.68,1,;-8.05,1.71,;-5.35,1.77,;-5.35,3.31,;-4.02,4.08,;-2.68,3.31,;-4.02,5.62,;-5.35,6.39,;-6.68,5.62,;-6.68,4.08,;-8.02,3.31,;-4.02,1,;-2.55,1.47,;2.04,1.94,;2.94,.69,;4.47,.84,;5.37,-.42,;6.9,-.27,;7.8,-1.52,;7.16,-2.92,;5.62,-3.07,;8.05,-4.18,;5.11,2.24,;4.22,3.49,;4.55,5,;3.22,5.78,;3.07,7.31,;4.33,8.2,;1.67,7.95,;2.07,4.76,;.56,5.09,;-.21,6.42,;.56,7.76,;-.21,9.09,;.56,10.42,;-1.75,9.09,;-2.52,7.76,;-1.75,6.42,;2.68,3.34,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596988
(US11596639, Example 585)Show SMILES C[C@@H]1CN(c2cn(C)c3ncc(nc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,5.36,;-.81,3.82,;.72,3.98,;1.63,2.73,;3.16,2.89,;4.22,1.77,;5.61,2.44,;6.94,1.67,;5.41,3.96,;6.41,5.13,;5.9,6.59,;4.38,6.87,;3.38,5.7,;3.9,4.24,;3.87,8.32,;2.35,8.6,;4.87,9.49,;1,1.32,;1.9,.07,;-.53,1.16,;-1.43,-.08,;-.96,-1.55,;.54,-1.88,;1.03,-3.34,;2.53,-3.67,;3.02,-5.13,;4.54,-5.4,;5.06,-6.84,;6.57,-7.16,;4.07,-8.02,;4.55,-9.49,;2.56,-7.76,;1.59,-8.95,;2.03,-6.31,;-2.9,.39,;-4.23,-.38,;-5.57,.39,;-5.57,1.93,;-6.94,2.64,;-4.23,2.7,;-4.23,4.24,;-5.48,5.15,;-6.94,4.67,;-5,6.61,;-3.46,6.61,;-2.69,7.95,;-2.99,5.15,;-1.52,4.67,;-2.9,1.93,;-1.43,2.41,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596990
(US11596639, Example 587)Show SMILES COCCn1c(cc2c(OC)ccc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-1.48,9.39,;-1.01,7.92,;.49,7.59,;.95,6.12,;2.46,5.79,;3.61,6.81,;4.94,6.03,;4.61,4.52,;5.5,3.27,;7.03,3.42,;7.67,4.82,;4.86,1.87,;3.33,1.72,;2.43,2.98,;.9,2.83,;-0,4.07,;-1.54,3.91,;-1.54,5.45,;-2.16,2.51,;-1.26,1.26,;-2.16,.02,;-1.69,-1.45,;-.18,-1.78,;.3,-3.24,;1.81,-3.57,;2.29,-5.03,;3.81,-5.3,;4.34,-6.75,;5.84,-7.07,;3.35,-7.93,;3.82,-9.39,;1.83,-7.66,;.86,-8.86,;1.3,-6.21,;-3.63,.49,;-4.96,-.28,;-6.29,.49,;-6.29,2.03,;-7.66,2.74,;-4.96,2.8,;-4.96,4.34,;-6.21,5.25,;-7.67,4.77,;-5.73,6.71,;-4.19,6.71,;-3.42,8.04,;-3.71,5.25,;-2.25,4.77,;-3.63,2.03,;.27,1.42,;1.17,.17,;3.07,4.38,;3.46,8.34,;4.72,9.24,;2.06,8.98,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596993
(US11596639, Example 590)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-1.92,5.09,;-1.92,3.55,;-.39,3.71,;.52,2.46,;-.11,1.06,;.78,-.2,;-1.64,.9,;-2.55,-.35,;-2.07,-1.82,;-.57,-2.15,;-.08,-3.61,;1.42,-3.94,;1.91,-5.4,;3.42,-5.66,;3.95,-7.11,;5.46,-7.43,;2.96,-8.29,;3.43,-9.76,;1.44,-8.02,;.48,-9.22,;.92,-6.58,;-4.01,.13,;-5.35,-.64,;-6.68,.13,;-6.68,1.67,;-8.05,2.37,;-5.35,2.44,;-5.35,3.98,;-6.59,4.88,;-8.06,4.4,;-6.12,6.35,;-4.58,6.35,;-3.81,7.68,;-4.1,4.88,;-2.64,4.4,;-4.01,1.67,;-2.55,2.14,;2.05,2.61,;2.94,1.36,;4.48,1.5,;5.37,.25,;6.9,.4,;7.8,-.85,;7.16,-2.26,;5.63,-2.4,;8.06,-3.51,;5.11,2.91,;4.22,4.16,;4.55,5.66,;3.23,6.44,;3.08,7.98,;4.33,8.87,;1.67,8.61,;2.07,5.42,;.57,5.76,;-.2,7.09,;.57,8.42,;-.2,9.76,;-1.74,9.76,;-2.51,8.42,;-1.74,7.09,;2.69,4.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596994
(US11596639, Example 591)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2cc(C(O)=O)n(C)c12)C(=O)N1CCOCC1 |r,wD:1.0,(-2.87,5.53,;-2.87,3.99,;-1.34,4.15,;-.44,2.91,;-1.06,1.5,;-.17,.25,;-2.59,1.34,;-3.5,.09,;-3.03,-1.37,;-1.52,-1.7,;-1.04,-3.16,;.47,-3.49,;.96,-4.95,;2.47,-5.22,;3,-6.67,;4.51,-6.99,;2.01,-7.85,;2.48,-9.31,;.49,-7.58,;-.48,-8.78,;-.03,-6.13,;-4.96,.57,;-6.3,-.2,;-7.63,.57,;-7.63,2.11,;-9,2.81,;-6.3,2.88,;-6.3,4.42,;-7.54,5.32,;-9.01,4.85,;-7.07,6.79,;-5.53,6.79,;-4.76,8.12,;-5.05,5.32,;-3.59,4.85,;-4.96,2.11,;-3.5,2.58,;1.1,3.05,;1.99,1.8,;3.52,1.95,;4.16,3.35,;3.27,4.6,;3.6,6.11,;2.27,6.89,;2.12,8.42,;3.38,9.31,;.72,9.06,;1.12,5.87,;-.38,6.2,;1.73,4.45,;4.42,.69,;3.78,-.71,;5.95,.84,;6.88,-.39,;8.41,-.2,;9.01,1.22,;8.08,2.45,;6.55,2.26,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596995
(US11596639, Example 592)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(OCCN(C)C)cc2cc(C(O)=O)n(Cc3cccc(C)n3)c12 |r,wD:1.0,(-1.92,4.42,;-1.92,2.88,;-.39,3.04,;.52,1.8,;-.11,.39,;.78,-.86,;-1.64,.23,;-2.55,-1.02,;-2.07,-2.48,;-.57,-2.81,;-.08,-4.27,;1.42,-4.6,;1.91,-6.06,;3.42,-6.33,;3.95,-7.78,;5.46,-8.1,;2.96,-8.96,;3.43,-10.42,;1.44,-8.69,;.48,-9.89,;.92,-7.24,;-4.01,-.54,;-5.35,-1.31,;-6.68,-.54,;-6.68,1,;-8.05,1.71,;-5.35,1.77,;-5.35,3.31,;-6.59,4.21,;-8.06,3.74,;-6.12,5.68,;-4.58,5.68,;-3.81,7.01,;-4.1,4.21,;-2.64,3.74,;-4.01,1,;-2.55,1.47,;2.05,1.94,;2.94,.69,;4.48,.84,;5.37,-.42,;6.9,-.27,;7.8,-1.52,;7.16,-2.92,;5.63,-3.07,;8.06,-4.18,;5.11,2.24,;4.22,3.49,;4.55,5,;3.23,5.78,;3.08,7.31,;4.33,8.2,;1.67,7.95,;2.07,4.76,;.57,5.09,;-.2,6.42,;-1.74,6.42,;-2.51,7.76,;-1.74,9.09,;-.2,9.09,;.57,10.42,;.57,7.76,;2.69,3.34,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596996
(US11596639, Example 593)Show SMILES COc1ccc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3cccc(C)n3)c(cc12)C(O)=O |r,wD:8.8,(7.67,3.79,;7.03,2.39,;5.5,2.24,;4.86,.84,;3.33,.69,;2.43,1.94,;.9,1.8,;-0,3.04,;-1.54,2.88,;-1.54,4.42,;-2.16,1.47,;-1.26,.23,;-2.16,-1.02,;-1.69,-2.48,;-.18,-2.81,;.3,-4.27,;1.81,-4.6,;2.29,-6.06,;3.81,-6.33,;4.34,-7.78,;5.84,-8.1,;3.35,-8.96,;3.82,-10.42,;1.83,-8.69,;.86,-9.89,;1.3,-7.24,;-3.63,-.54,;-4.96,-1.31,;-6.29,-.54,;-6.29,1,;-7.66,1.71,;-4.96,1.77,;-4.96,3.31,;-6.21,4.21,;-7.67,3.74,;-5.73,5.68,;-4.19,5.68,;-3.42,7.01,;-3.71,4.21,;-2.25,3.74,;-3.63,1,;.27,.39,;1.17,-.86,;3.07,3.34,;2.46,4.76,;.95,5.09,;.18,6.42,;-1.36,6.42,;-2.13,7.76,;-1.36,9.09,;.18,9.09,;.95,10.42,;.95,7.76,;3.61,5.78,;4.94,5,;4.61,3.49,;3.46,7.31,;4.72,8.2,;2.06,7.95,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596997
(US11596639, Example 594)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)ncnc6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.57,9.39,;-.1,7.92,;1.4,7.59,;1.86,6.12,;3.37,5.79,;4.52,6.81,;5.85,6.03,;5.51,4.52,;6.41,3.27,;5.77,1.87,;6.67,.62,;4.24,1.72,;3.34,2.98,;1.81,2.83,;.91,4.07,;-.63,3.91,;-.63,5.45,;-1.25,2.51,;-.35,1.26,;-1.25,.02,;-.78,-1.45,;.73,-1.78,;1.21,-3.24,;2.72,-3.57,;3.2,-5.03,;4.72,-5.3,;5.25,-6.75,;6.75,-7.07,;4.26,-7.93,;4.73,-9.39,;2.74,-7.66,;1.77,-8.86,;2.21,-6.21,;-2.72,.49,;-4.05,-.28,;-5.38,.49,;-5.38,2.03,;-6.75,2.74,;-4.05,2.8,;-4.05,4.34,;-2.72,5.11,;-1.38,4.34,;-2.72,6.65,;-4.05,7.42,;-5.38,6.65,;-5.38,5.11,;-6.72,4.34,;-2.72,2.03,;1.18,1.42,;2.08,.17,;3.98,4.38,;4.37,8.34,;5.63,9.24,;2.97,8.98,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596998
(US11596639, Example 595)Show SMILES COCCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:11.11,(7.42,-4.47,;8.06,-3.07,;7.16,-1.81,;7.8,-.41,;6.9,.84,;5.37,.69,;4.48,1.95,;2.94,1.8,;2.05,3.05,;.52,2.91,;-.39,4.15,;-1.92,3.99,;-1.92,5.53,;-2.55,2.58,;-1.64,1.34,;-2.55,.09,;-2.07,-1.37,;-.57,-1.7,;-.08,-3.16,;1.42,-3.49,;1.91,-4.95,;3.42,-5.22,;3.95,-6.67,;5.46,-6.99,;2.96,-7.85,;3.43,-9.31,;1.44,-7.58,;.48,-8.78,;.92,-6.13,;-4.01,.57,;-5.35,-.2,;-6.68,.57,;-6.68,2.11,;-8.05,2.81,;-5.35,2.88,;-5.35,4.42,;-6.59,5.32,;-8.06,4.85,;-6.12,6.79,;-4.58,6.79,;-3.81,8.12,;-4.1,5.32,;-2.64,4.85,;-4.01,2.11,;-.11,1.5,;.78,.25,;2.69,4.45,;2.07,5.87,;.57,6.2,;3.23,6.89,;4.55,6.11,;4.22,4.6,;5.11,3.35,;3.08,8.42,;4.33,9.31,;1.67,9.06,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596999
(US11596639, Example 596)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC(=O)N(C)C)c12 |r,wD:1.0,(-.62,5.53,;-.62,3.99,;.91,4.15,;1.82,2.91,;1.19,1.5,;2.08,.25,;-.34,1.34,;-1.25,.09,;-.78,-1.37,;.73,-1.7,;1.22,-3.16,;2.72,-3.49,;3.21,-4.95,;4.72,-5.22,;5.25,-6.67,;6.76,-6.99,;4.26,-7.85,;4.73,-9.31,;2.74,-7.58,;1.78,-8.78,;2.22,-6.13,;-2.71,.57,;-4.05,-.2,;-5.38,.57,;-5.38,2.11,;-6.75,2.81,;-4.05,2.88,;-4.05,4.42,;-5.29,5.32,;-6.76,4.85,;-4.82,6.79,;-3.28,6.79,;-2.51,8.12,;-2.8,5.32,;-1.34,4.85,;-2.71,2.11,;-1.25,2.58,;3.35,3.05,;4.24,1.8,;5.78,1.95,;6.67,.69,;6.41,3.35,;5.52,4.6,;5.85,6.11,;4.52,6.89,;4.38,8.42,;5.63,9.31,;2.97,9.06,;3.37,5.87,;1.87,6.2,;1.1,7.53,;1.87,8.87,;-.44,7.53,;-1.21,8.87,;-1.21,6.2,;3.99,4.45,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597000
(US11596639, Example 598)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(CC(=O)N3CCOCC3)c12 |r,wD:1.0,(-.62,4.78,;-.62,3.24,;.91,3.4,;1.82,2.15,;1.19,.75,;2.08,-.51,;-.34,.59,;-1.25,-.66,;-.78,-2.13,;.73,-2.45,;1.22,-3.92,;2.72,-4.24,;3.21,-5.71,;4.72,-5.97,;5.25,-7.42,;6.76,-7.74,;4.26,-8.6,;4.73,-10.07,;2.74,-8.33,;1.78,-9.53,;2.22,-6.88,;-2.71,-.18,;-4.05,-.95,;-5.38,-.18,;-5.38,1.36,;-6.75,2.06,;-4.05,2.13,;-4.05,3.67,;-5.29,4.57,;-6.76,4.1,;-4.82,6.04,;-3.28,6.04,;-2.51,7.37,;-2.8,4.57,;-1.34,4.1,;-2.71,1.36,;-1.25,1.83,;3.35,2.3,;4.24,1.05,;5.78,1.19,;6.67,-.06,;6.41,2.6,;5.52,3.85,;5.85,5.35,;4.52,6.13,;4.38,7.67,;5.86,8.07,;3.72,9.06,;3.37,5.11,;1.87,5.45,;1.87,6.99,;2.64,8.32,;.53,7.76,;.53,9.3,;-.8,10.07,;-2.13,9.3,;-2.13,7.76,;-.8,6.99,;3.99,3.7,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596937
(US11596639, Example 534)Show SMILES C[C@@H]1CN(c2cn(CC3CCN(C)C3)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-1.58,5.36,;-1.58,3.82,;-.05,3.98,;.86,2.73,;2.39,2.89,;3.45,1.77,;4.84,2.44,;6.17,1.67,;6.17,.13,;4.93,-.78,;5.4,-2.24,;6.94,-2.24,;7.71,-3.58,;7.42,-.78,;4.64,3.96,;5.64,5.13,;5.13,6.59,;3.61,6.87,;2.61,5.7,;3.13,4.24,;3.1,8.32,;1.58,8.6,;4.1,9.49,;.23,1.32,;1.13,.07,;-1.3,1.16,;-2.2,-.08,;-1.73,-1.55,;-.23,-1.88,;.26,-3.34,;1.76,-3.67,;2.25,-5.13,;3.77,-5.4,;4.29,-6.84,;5.8,-7.16,;3.3,-8.02,;3.78,-9.49,;1.79,-7.76,;.82,-8.95,;1.26,-6.31,;-3.67,.39,;-5,-.38,;-6.34,.39,;-6.34,1.93,;-7.71,2.64,;-5,2.7,;-5,4.24,;-3.76,5.15,;-2.29,4.67,;-4.23,6.61,;-5.77,6.61,;-6.54,7.95,;-6.25,5.15,;-7.71,4.67,;-3.67,1.93,;-2.2,2.41,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596938
(US11596639, Example 535)Show SMILES COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:7.7,(6.03,-.71,;6.67,.69,;5.77,1.95,;4.24,1.8,;3.34,3.05,;1.81,2.91,;.91,4.15,;-.63,3.99,;-.63,5.53,;-1.25,2.58,;-.35,1.34,;-1.25,.09,;-.78,-1.37,;.73,-1.7,;1.21,-3.16,;2.72,-3.49,;3.2,-4.95,;4.72,-5.22,;5.25,-6.67,;6.75,-6.99,;4.26,-7.85,;4.73,-9.31,;2.74,-7.58,;1.77,-8.78,;2.21,-6.13,;-2.72,.57,;-4.05,-.2,;-5.38,.57,;-5.38,2.11,;-6.75,2.81,;-4.05,2.88,;-4.05,4.42,;-5.38,5.19,;-6.72,4.42,;-5.38,6.73,;-4.05,7.5,;-2.72,6.73,;-2.72,5.19,;-1.38,4.42,;-2.72,2.11,;1.18,1.5,;2.08,.25,;3.98,4.45,;3.37,5.87,;1.86,6.2,;4.52,6.89,;5.85,6.11,;5.51,4.6,;6.41,3.35,;4.37,8.42,;5.63,9.31,;2.97,9.06,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596939
(US11596639, Example 536)Show SMILES COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3cccc(C)n3)c(cc2c1)C(O)=O |r,wD:7.7,(6.03,-1.15,;6.67,.25,;5.78,1.5,;4.24,1.36,;3.35,2.61,;1.82,2.46,;.91,3.71,;-.62,3.55,;-.62,5.09,;-1.25,2.14,;-.34,.9,;-1.25,-.35,;-.78,-1.82,;.73,-2.15,;1.22,-3.61,;2.72,-3.94,;3.21,-5.4,;4.72,-5.66,;5.25,-7.11,;6.76,-7.43,;4.26,-8.29,;4.73,-9.76,;2.74,-8.02,;1.78,-9.22,;2.22,-6.58,;-2.71,.13,;-4.05,-.64,;-5.38,.13,;-5.38,1.67,;-6.75,2.37,;-4.05,2.44,;-4.05,3.98,;-2.8,4.88,;-1.34,4.4,;-3.28,6.35,;-4.82,6.35,;-5.59,7.68,;-5.29,4.88,;-6.76,4.4,;-2.71,1.67,;1.19,1.06,;2.08,-.2,;3.99,4.01,;3.37,5.42,;1.87,5.76,;1.1,7.09,;1.87,8.42,;1.1,9.76,;-.44,9.76,;-1.21,8.42,;-2.75,8.42,;-.44,7.09,;4.52,6.44,;5.85,5.66,;5.52,4.16,;6.41,2.91,;4.38,7.98,;5.63,8.87,;2.97,8.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596940
(US11596639, Example 537)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc2c1)C(O)=O |r,wD:10.10,(6.97,-5.06,;6.08,-3.81,;6.71,-2.4,;5.82,-1.15,;6.46,.25,;5.56,1.5,;4.03,1.36,;3.13,2.61,;1.6,2.46,;.7,3.71,;-.84,3.55,;-.84,5.09,;-1.46,2.14,;-.56,.9,;-1.46,-.35,;-.99,-1.82,;.52,-2.15,;1,-3.61,;2.51,-3.94,;2.99,-5.4,;4.51,-5.66,;5.04,-7.11,;6.54,-7.43,;4.05,-8.29,;4.52,-9.76,;2.53,-8.02,;1.56,-9.22,;2,-6.58,;-2.93,.13,;-4.26,-.64,;-5.59,.13,;-5.59,1.67,;-6.96,2.37,;-4.26,2.44,;-4.26,3.98,;-3.01,4.88,;-1.55,4.4,;-3.49,6.35,;-5.03,6.35,;-5.8,7.68,;-5.51,4.88,;-6.97,4.4,;-2.93,1.67,;.97,1.06,;1.87,-.2,;3.77,4.01,;3.16,5.42,;1.65,5.76,;.88,7.09,;1.65,8.42,;.88,9.76,;-.66,9.76,;-1.43,8.42,;-.66,7.09,;4.31,6.44,;5.64,5.66,;5.31,4.16,;6.2,2.91,;4.16,7.98,;5.42,8.87,;2.76,8.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596941
(US11596639, Example 538)Show SMILES COc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc2c1)C(O)=O |r,wD:7.7,(6.03,-1.15,;6.67,.25,;5.78,1.5,;4.24,1.36,;3.35,2.61,;1.82,2.46,;.91,3.71,;-.62,3.55,;-.62,5.09,;-1.25,2.14,;-.34,.9,;-1.25,-.35,;-.78,-1.82,;.73,-2.15,;1.22,-3.61,;2.72,-3.94,;3.21,-5.4,;4.72,-5.66,;5.25,-7.11,;6.76,-7.43,;4.26,-8.29,;4.73,-9.76,;2.74,-8.02,;1.78,-9.22,;2.22,-6.58,;-2.71,.13,;-4.05,-.64,;-5.38,.13,;-5.38,1.67,;-6.75,2.37,;-4.05,2.44,;-4.05,3.98,;-2.8,4.88,;-1.34,4.4,;-3.28,6.35,;-4.82,6.35,;-5.59,7.68,;-5.29,4.88,;-6.76,4.4,;-2.71,1.67,;1.19,1.06,;2.08,-.2,;3.99,4.01,;3.37,5.42,;1.87,5.76,;1.1,7.09,;1.87,8.42,;1.1,9.76,;-.44,9.76,;-1.21,8.42,;-.44,7.09,;4.52,6.44,;5.85,5.66,;5.52,4.16,;6.41,2.91,;4.38,7.98,;5.63,8.87,;2.97,8.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596942
(US11596639, Example 539)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)ncnc5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(6.97,-4.62,;6.07,-3.36,;6.71,-1.96,;5.81,-.71,;6.45,.69,;5.56,1.95,;4.02,1.8,;3.13,3.05,;1.6,2.91,;.69,4.15,;-.84,3.99,;-.84,5.53,;-1.47,2.58,;-.56,1.34,;-1.47,.09,;-.99,-1.37,;.51,-1.7,;1,-3.16,;2.5,-3.49,;2.99,-4.95,;4.51,-5.22,;5.03,-6.67,;6.54,-6.99,;4.04,-7.85,;4.51,-9.31,;2.52,-7.58,;1.56,-8.78,;2,-6.13,;-2.93,.57,;-4.26,-.2,;-5.6,.57,;-5.6,2.11,;-6.97,2.81,;-4.26,2.88,;-4.26,4.42,;-5.6,5.19,;-6.93,4.42,;-5.6,6.73,;-4.26,7.5,;-2.93,6.73,;-2.93,5.19,;-1.6,4.42,;-2.93,2.11,;.97,1.5,;1.87,.25,;3.77,4.45,;3.15,5.87,;1.65,6.2,;4.31,6.89,;5.63,6.11,;5.3,4.6,;6.2,3.35,;4.16,8.42,;5.41,9.31,;2.76,9.06,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596943
(US11596639, Example 540)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3cccc(C)n3)c(cc2c1)C(O)=O |r,wD:10.10,(6.97,-5.06,;6.08,-3.81,;6.71,-2.4,;5.82,-1.15,;6.46,.25,;5.56,1.5,;4.03,1.36,;3.13,2.61,;1.6,2.46,;.7,3.71,;-.84,3.55,;-.84,5.09,;-1.46,2.14,;-.56,.9,;-1.46,-.35,;-.99,-1.82,;.52,-2.15,;1,-3.61,;2.51,-3.94,;2.99,-5.4,;4.51,-5.66,;5.04,-7.11,;6.54,-7.43,;4.05,-8.29,;4.52,-9.76,;2.53,-8.02,;1.56,-9.22,;2,-6.58,;-2.93,.13,;-4.26,-.64,;-5.59,.13,;-5.59,1.67,;-6.96,2.37,;-4.26,2.44,;-4.26,3.98,;-3.01,4.88,;-1.55,4.4,;-3.49,6.35,;-5.03,6.35,;-5.8,7.68,;-5.51,4.88,;-6.97,4.4,;-2.93,1.67,;.97,1.06,;1.87,-.2,;3.77,4.01,;3.16,5.42,;1.65,5.76,;.88,7.09,;1.65,8.42,;.88,9.76,;-.66,9.76,;-1.43,8.42,;-2.97,8.42,;-.66,7.09,;4.31,6.44,;5.64,5.66,;5.31,4.16,;6.2,2.91,;4.16,7.98,;5.42,8.87,;2.76,8.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596947
(US11596639, Example 544)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CN2CCN(C)CC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.64,5.53,;-3.64,3.99,;-2.11,4.15,;-1.2,2.91,;-1.83,1.5,;-.93,.25,;-3.36,1.34,;-4.26,.09,;-3.79,-1.37,;-2.29,-1.7,;-1.8,-3.16,;-.29,-3.49,;.19,-4.95,;1.71,-5.22,;2.23,-6.67,;3.74,-6.99,;1.24,-7.85,;1.72,-9.31,;-.27,-7.58,;-1.24,-8.78,;-.8,-6.13,;-5.73,.57,;-7.06,-.2,;-8.4,.57,;-8.4,2.11,;-9.76,2.81,;-7.06,2.88,;-7.06,4.42,;-5.82,5.32,;-4.35,4.85,;-6.29,6.79,;-7.83,6.79,;-8.6,8.12,;-8.31,5.32,;-9.77,4.85,;-5.73,2.11,;-4.26,2.58,;.33,3.05,;1.23,1.8,;2.76,1.95,;3.66,.69,;5.19,.84,;6.12,-.39,;7.65,-.2,;8.24,1.22,;9.77,1.41,;7.32,2.45,;5.79,2.26,;3.4,3.35,;2.5,4.6,;2.84,6.11,;1.51,6.89,;1.36,8.42,;2.61,9.31,;-.04,9.06,;.36,5.87,;-1.15,6.2,;.97,4.45,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596955
(US11596639, Example 552)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(ccn3)N3CCN(CC3)C(C)=O)c12 |r,wD:1.0,(-.62,1.68,;-.62,.14,;.91,.3,;1.82,-.94,;1.19,-2.35,;2.08,-3.6,;-.34,-2.51,;-1.25,-3.75,;-.78,-5.22,;.73,-5.55,;1.22,-7.01,;2.72,-7.34,;3.21,-8.8,;4.72,-9.07,;5.25,-10.52,;6.76,-10.84,;4.26,-11.7,;4.73,-13.16,;2.74,-11.43,;1.78,-12.63,;2.22,-9.98,;-2.71,-3.28,;-4.05,-4.05,;-5.38,-3.28,;-5.38,-1.74,;-6.75,-1.03,;-4.05,-.97,;-4.05,.57,;-5.29,1.48,;-6.76,1,;-4.82,2.94,;-3.28,2.94,;-2.51,4.27,;-2.8,1.48,;-1.34,1,;-2.71,-1.74,;-1.25,-1.26,;3.35,-.8,;4.24,-2.05,;5.78,-1.9,;6.67,-3.15,;6.41,-.5,;5.52,.75,;5.85,2.26,;4.52,3.04,;4.38,4.57,;5.63,5.47,;2.97,5.21,;3.37,2.02,;1.87,2.35,;1.1,3.68,;1.87,5.02,;1.1,6.35,;-.44,6.35,;-1.21,5.02,;-.44,3.68,;1.87,7.69,;3.41,7.69,;4.22,9.01,;3.47,10.4,;1.85,10.45,;1.1,9.02,;4.28,11.71,;5.82,11.66,;3.55,13.06,;3.99,.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM596956
(US11596639, Example 553)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3cc(ccn3)N3CCNCC3)c12 |r,wD:1.0,(-.62,3.09,;-.62,1.55,;.91,1.71,;1.82,.46,;1.19,-.94,;2.08,-2.2,;-.34,-1.11,;-1.25,-2.35,;-.78,-3.82,;.73,-4.15,;1.22,-5.61,;2.72,-5.94,;3.21,-7.4,;4.72,-7.66,;5.25,-9.11,;6.76,-9.43,;4.26,-10.29,;4.73,-11.76,;2.74,-10.02,;1.78,-11.22,;2.22,-8.58,;-2.71,-1.87,;-4.05,-2.65,;-5.38,-1.87,;-5.38,-.33,;-6.75,.37,;-4.05,.43,;-4.05,1.97,;-5.29,2.88,;-6.76,2.4,;-4.82,4.34,;-3.28,4.34,;-2.51,5.68,;-2.8,2.88,;-1.34,2.4,;-2.71,-.33,;-1.25,.14,;3.35,.61,;4.24,-.64,;5.78,-.5,;6.67,-1.75,;6.41,.91,;5.52,2.16,;5.85,3.66,;4.52,4.44,;4.38,5.98,;5.63,6.87,;2.97,6.61,;3.37,3.42,;1.87,3.75,;1.1,5.09,;1.87,6.42,;1.1,7.76,;-.44,7.76,;-1.21,6.42,;-.44,5.09,;1.87,9.09,;3.41,9.09,;4.18,10.42,;3.41,11.76,;1.87,11.76,;1.1,10.42,;3.99,2.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597066
(US11596639, Example 665)Show SMILES COCCn1c(cc2cc(OC)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-.78,9.3,;-.27,7.85,;1.25,7.57,;1.76,6.12,;3.27,5.84,;4.39,6.89,;5.74,6.16,;5.46,4.65,;6.4,3.42,;5.81,2,;6.75,.78,;6.16,-.64,;4.28,1.8,;3.35,3.02,;1.82,2.86,;.91,4.11,;-.62,3.95,;-.62,5.49,;-1.25,2.54,;-.34,1.29,;-1.25,.05,;-.78,-1.42,;.73,-1.75,;1.22,-3.21,;2.72,-3.54,;3.21,-5,;4.72,-5.27,;5.25,-6.71,;6.76,-7.03,;4.26,-7.89,;4.73,-9.36,;2.74,-7.62,;1.78,-8.82,;2.22,-6.18,;-2.71,.52,;-4.05,-.25,;-5.38,.52,;-5.38,2.06,;-6.75,2.77,;-4.05,2.83,;-4.05,4.37,;-5.29,5.28,;-6.76,4.8,;-4.82,6.74,;-3.28,6.74,;-2.51,8.08,;-2.8,5.28,;-1.34,4.8,;-2.71,2.06,;1.19,1.45,;2.08,.2,;3.94,4.44,;4.19,8.42,;2.77,9.01,;5.41,9.36,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597068
(US11596639, Example 667)Show SMILES C[C@@H]1CN(c2cn(C[C@H]3CCC[N]3(C)C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:8.7,wD:1.0,(-1.44,5.51,;-1.44,3.97,;.09,4.14,;1,2.89,;2.53,3.05,;3.59,1.93,;4.98,2.59,;6.33,1.86,;6.37,.32,;7.57,-.53,;7.03,-2.02,;5.5,-2.02,;5.08,-.53,;3.75,.24,;3.75,-1.3,;4.78,4.12,;5.78,5.29,;5.27,6.74,;3.75,7.02,;2.75,5.85,;3.27,4.4,;3.24,8.48,;1.73,8.76,;4.24,9.65,;.37,1.48,;1.28,.24,;-1.16,1.32,;-2.07,.08,;-1.67,-1.41,;-.18,-1.81,;.22,-3.3,;1.71,-3.7,;2.11,-5.18,;1.02,-6.27,;1.41,-7.76,;.33,-8.85,;2.9,-8.16,;3.3,-9.65,;3.99,-7.07,;5.48,-7.47,;3.59,-5.58,;-3.53,.55,;-4.86,-.22,;-6.2,.55,;-6.2,2.09,;-7.53,2.86,;-4.86,2.86,;-4.86,4.4,;-6.11,5.31,;-7.57,4.83,;-5.63,6.77,;-4.09,6.77,;-3.19,8.02,;-3.62,5.31,;-2.15,4.83,;-3.53,2.09,;-2.07,2.57,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597071
(US11596639, Example 670)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(cc23)-c2ncn(n2)-c2nccc(C)n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,3.26,;-.81,1.72,;.72,1.88,;1.63,.64,;3.16,.8,;4.22,-.32,;5.61,.34,;6.94,-.43,;5.41,1.87,;6.41,3.04,;5.9,4.49,;4.38,4.77,;3.38,3.6,;3.9,2.15,;3.87,6.23,;4.77,7.47,;3.87,8.72,;2.4,8.24,;2.4,6.7,;1.16,9.15,;1.32,10.68,;.07,11.58,;-1.33,10.96,;-1.49,9.43,;-2.9,8.8,;-.25,8.52,;1,-.77,;1.9,-2.02,;-.53,-.93,;-1.43,-2.18,;-.96,-3.64,;.54,-3.97,;1.03,-5.43,;2.53,-5.76,;3.02,-7.22,;4.54,-7.49,;5.06,-8.94,;6.57,-9.26,;4.07,-10.12,;4.55,-11.58,;2.56,-9.85,;1.59,-11.05,;2.03,-8.4,;-2.9,-1.7,;-4.23,-2.47,;-5.57,-1.7,;-5.57,-.16,;-6.94,.55,;-4.23,.61,;-4.23,2.15,;-5.48,3.05,;-6.94,2.58,;-5,4.52,;-3.46,4.52,;-2.69,5.85,;-2.99,3.05,;-1.52,2.58,;-2.9,-.16,;-1.43,.31,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597078
(US11596639, Example 677)Show SMILES COCCn1c(cc2cc(COC)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:17.17,(-.95,9.3,;-.44,7.85,;1.08,7.57,;1.59,6.12,;3.1,5.84,;4.22,6.89,;5.58,6.16,;5.29,4.65,;6.23,3.42,;5.64,2,;6.58,.78,;5.99,-.64,;6.93,-1.87,;4.11,1.8,;3.18,3.02,;1.65,2.86,;.74,4.11,;-.79,3.95,;-.79,5.49,;-1.42,2.54,;-.51,1.29,;-1.42,.05,;-.94,-1.42,;.56,-1.75,;1.05,-3.21,;2.55,-3.54,;3.04,-5,;4.56,-5.27,;5.08,-6.71,;6.59,-7.03,;4.09,-7.89,;4.56,-9.36,;2.57,-7.62,;1.61,-8.82,;2.05,-6.18,;-2.88,.52,;-4.22,-.25,;-5.55,.52,;-5.55,2.06,;-6.92,2.77,;-4.22,2.83,;-4.22,4.37,;-5.46,5.28,;-6.93,4.8,;-4.99,6.74,;-3.45,6.74,;-2.68,8.08,;-2.97,5.28,;-1.5,4.8,;-2.88,2.06,;1.02,1.45,;1.91,.2,;3.77,4.44,;4.02,8.42,;5.24,9.36,;2.6,9.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597083
(US11596639, Example 682)Show SMILES COCCN(C)c1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:11.11,(8.22,-2.84,;7.24,-1.65,;7.79,-.21,;6.81,.98,;5.29,.78,;4.7,-.64,;4.35,2,;2.82,1.8,;1.88,3.02,;.35,2.86,;-.55,4.11,;-2.08,3.95,;-2.08,5.49,;-2.71,2.54,;-1.81,1.29,;-2.71,.05,;-2.24,-1.42,;-.73,-1.75,;-.25,-3.21,;1.26,-3.54,;1.75,-5,;3.26,-5.27,;3.79,-6.71,;5.29,-7.03,;2.8,-7.89,;3.27,-9.36,;1.28,-7.62,;.31,-8.82,;.75,-6.18,;-4.18,.52,;-5.51,-.25,;-6.84,.52,;-6.84,2.06,;-8.21,2.77,;-5.51,2.83,;-5.51,4.37,;-6.75,5.28,;-8.22,4.8,;-6.28,6.74,;-4.74,6.74,;-3.97,8.08,;-4.26,5.28,;-2.8,4.8,;-4.18,2.06,;-.27,1.45,;.62,.2,;2.47,4.44,;1.81,5.84,;.3,6.12,;2.93,6.89,;4.28,6.16,;4,4.65,;4.94,3.42,;2.73,8.42,;3.95,9.36,;1.31,9.01,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597087
(US11596639, Example 686)Show SMILES COCCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:16.16,(-2.3,9.47,;-.78,9.19,;-.27,7.74,;1.25,7.46,;1.76,6,;3.27,5.72,;4.39,6.78,;5.74,6.05,;5.46,4.53,;6.4,3.31,;5.81,1.89,;6.75,.67,;4.28,1.69,;3.35,2.91,;1.82,2.75,;.91,4,;-.62,3.83,;-.62,5.37,;-1.25,2.43,;-.34,1.18,;-1.25,-.06,;-.78,-1.53,;.73,-1.86,;1.22,-3.32,;2.72,-3.65,;3.21,-5.11,;4.72,-5.38,;5.25,-6.83,;6.76,-7.15,;4.26,-8,;4.73,-9.47,;2.74,-7.74,;1.78,-8.93,;2.22,-6.29,;-2.71,.41,;-4.05,-.36,;-5.38,.41,;-5.38,1.95,;-6.75,2.66,;-4.05,2.72,;-4.05,4.26,;-5.29,5.17,;-6.76,4.69,;-4.82,6.63,;-3.28,6.63,;-2.51,7.97,;-2.8,5.17,;-1.34,4.69,;-2.71,1.95,;1.19,1.34,;2.08,.09,;3.94,4.33,;4.19,8.31,;5.41,9.25,;2.77,8.9,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597088
(US11596639, Example 687)Show SMILES C[C@@H]1CN(c2cn(C)c3ccc(nc23)-c2nn[nH]n2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,4.69,;-.81,3.15,;.72,3.32,;1.63,2.07,;3.16,2.23,;4.22,1.11,;5.61,1.78,;6.94,1.01,;5.41,3.3,;6.41,4.47,;5.9,5.93,;4.38,6.21,;3.38,5.04,;3.9,3.58,;3.87,7.66,;4.77,8.9,;3.87,10.15,;2.4,9.67,;2.4,8.13,;1,.66,;1.9,-.59,;-.53,.5,;-1.43,-.74,;-.96,-2.21,;.54,-2.54,;1.03,-4,;2.53,-4.33,;3.02,-5.79,;4.54,-6.06,;5.06,-7.51,;6.57,-7.82,;4.07,-8.68,;4.55,-10.15,;2.56,-8.42,;1.59,-9.61,;2.03,-6.97,;-2.9,-.27,;-4.23,-1.04,;-5.57,-.27,;-5.57,1.27,;-6.94,1.98,;-4.23,2.04,;-4.23,3.58,;-5.48,4.49,;-6.94,4.01,;-5,5.95,;-3.46,5.95,;-2.69,7.29,;-2.99,4.49,;-1.52,4.01,;-2.9,1.27,;-1.43,1.75,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597092
(US11596639, Example 691)Show SMILES COCc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(Cc3ccccn3)c(cc2c1)C(O)=O |r,wD:8.8,(6.93,-2.25,;5.99,-1.02,;6.58,.4,;5.64,1.62,;4.11,1.42,;3.18,2.64,;1.65,2.48,;.74,3.73,;-.79,3.57,;-.79,5.11,;-1.42,2.16,;-.51,.91,;-1.42,-.33,;-.94,-1.8,;.56,-2.13,;1.05,-3.59,;2.55,-3.92,;3.04,-5.38,;4.56,-5.65,;5.08,-7.09,;6.59,-7.41,;4.09,-8.27,;4.56,-9.74,;2.57,-8,;1.61,-9.2,;2.05,-6.56,;-2.88,.14,;-4.22,-.63,;-5.55,.14,;-5.55,1.68,;-6.92,2.39,;-4.22,2.45,;-4.22,3.99,;-5.46,4.9,;-6.93,4.42,;-4.99,6.36,;-3.45,6.36,;-2.68,7.7,;-2.97,4.9,;-1.5,4.42,;-2.88,1.68,;1.02,1.08,;1.91,-.18,;3.77,4.07,;3.1,5.46,;1.59,5.74,;.82,7.07,;1.59,8.4,;.82,9.74,;-.72,9.74,;-1.49,8.4,;-.72,7.07,;4.22,6.52,;5.58,5.78,;5.29,4.27,;6.23,3.04,;4.02,8.04,;5.24,8.98,;2.6,8.63,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597093
(US11596639, Example 692)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(COCC2COC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-2.63,5.49,;-2.63,3.95,;-1.1,4.11,;-.2,2.86,;-.82,1.45,;.07,.2,;-2.35,1.29,;-3.26,.05,;-2.79,-1.42,;-1.28,-1.75,;-.8,-3.21,;.71,-3.54,;1.2,-5,;2.71,-5.27,;3.24,-6.71,;4.74,-7.03,;2.25,-7.89,;2.72,-9.36,;.73,-7.62,;-.24,-8.82,;.2,-6.18,;-4.72,.52,;-6.06,-.25,;-7.39,.52,;-7.39,2.06,;-8.76,2.77,;-6.06,2.83,;-6.06,4.37,;-7.3,5.28,;-8.77,4.8,;-6.83,6.74,;-5.29,6.74,;-4.52,8.08,;-4.81,5.28,;-3.35,4.8,;-4.72,2.06,;-3.26,2.54,;1.33,3.02,;2.27,1.8,;3.8,2,;4.74,.78,;4.15,-.64,;5.08,-1.87,;6.61,-1.67,;7.83,-2.6,;8.77,-1.38,;7.55,-.44,;4.39,3.42,;3.45,4.65,;3.73,6.16,;2.38,6.89,;2.18,8.42,;3.4,9.36,;.76,9.01,;1.26,5.84,;-.25,6.12,;1.92,4.44,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597094
(US11596639, Example 693)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(COCCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-3.25,5.49,;-3.25,3.95,;-1.72,4.11,;-.82,2.86,;-1.44,1.45,;-.55,.2,;-2.98,1.29,;-3.88,.05,;-3.41,-1.42,;-1.9,-1.75,;-1.42,-3.21,;.09,-3.54,;.57,-5,;2.09,-5.27,;2.62,-6.71,;4.12,-7.03,;1.63,-7.89,;2.1,-9.36,;.11,-7.62,;-.86,-8.82,;-.42,-6.18,;-5.35,.52,;-6.68,-.25,;-8.01,.52,;-8.01,2.06,;-9.38,2.77,;-6.68,2.83,;-6.68,4.37,;-7.93,5.28,;-9.39,4.8,;-7.45,6.74,;-5.91,6.74,;-5.14,8.08,;-5.43,5.28,;-3.97,4.8,;-5.35,2.06,;-3.88,2.54,;.71,3.02,;1.65,1.8,;3.18,2,;4.11,.78,;3.52,-.64,;4.46,-1.87,;5.99,-1.67,;6.93,-2.89,;6.34,-4.31,;7.27,-5.53,;8.8,-5.33,;9.39,-3.91,;8.45,-2.69,;3.77,3.42,;2.83,4.65,;3.11,6.16,;1.76,6.89,;1.56,8.42,;2.78,9.36,;.14,9.01,;.64,5.84,;-.87,6.12,;1.3,4.44,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597095
(US11596639, Example 694)Show SMILES C[C@@H]1CN(c2cn(C[C@H]3CCCN3C)c3ccc(cc23)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:8.7,wD:1.0,(-1.43,5.36,;-1.43,3.82,;.1,3.98,;1.01,2.73,;2.54,2.89,;3.6,1.77,;4.99,2.44,;6.32,1.67,;6.32,.13,;7.57,-.78,;7.09,-2.24,;5.55,-2.24,;5.07,-.78,;3.61,-.3,;4.79,3.96,;5.79,5.13,;5.27,6.59,;3.76,6.87,;2.76,5.7,;3.27,4.24,;3.25,8.32,;1.73,8.6,;4.25,9.49,;.38,1.32,;1.27,.07,;-1.15,1.16,;-2.06,-.08,;-1.58,-1.55,;-.08,-1.88,;.41,-3.34,;1.91,-3.67,;2.4,-5.13,;3.91,-5.4,;4.44,-6.84,;5.95,-7.16,;3.45,-8.02,;3.92,-9.49,;1.93,-7.76,;.97,-8.95,;1.41,-6.31,;-3.52,.39,;-4.86,-.38,;-6.19,.39,;-6.19,1.93,;-7.56,2.64,;-4.86,2.7,;-4.86,4.24,;-6.1,5.15,;-7.57,4.67,;-5.63,6.61,;-4.09,6.61,;-3.32,7.95,;-3.61,5.15,;-2.15,4.67,;-3.52,1.93,;-2.06,2.41,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597098
(US11596639, Example 697)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(cc2cc(C(O)=O)n(C)c12)C(O)=O |r,wD:1.0,(-1.38,5.49,;-1.38,3.95,;.15,4.11,;1.06,2.86,;.43,1.45,;1.32,.2,;-1.1,1.29,;-2.01,.05,;-1.53,-1.42,;-.03,-1.75,;.46,-3.21,;1.96,-3.54,;2.45,-5,;3.97,-5.27,;4.49,-6.71,;6,-7.03,;3.5,-7.89,;3.97,-9.36,;1.98,-7.62,;1.02,-8.82,;1.46,-6.18,;-3.47,.52,;-4.81,-.25,;-6.14,.52,;-6.14,2.06,;-7.51,2.77,;-4.81,2.83,;-4.81,4.37,;-6.05,5.28,;-7.52,4.8,;-5.58,6.74,;-4.04,6.74,;-3.27,8.08,;-3.56,5.28,;-2.09,4.8,;-3.47,2.06,;-2.01,2.54,;2.59,3.02,;3.52,1.8,;5.05,2,;5.64,3.42,;4.7,4.65,;4.99,6.16,;3.63,6.89,;3.43,8.42,;4.65,9.36,;2.01,9.01,;2.52,5.84,;1,6.12,;3.18,4.44,;5.99,.78,;5.4,-.64,;7.52,.98,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597102
(US11596639, Example 709)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.8,9.31,;-.31,7.85,;1.2,7.55,;1.69,6.09,;3.2,5.78,;4.33,6.83,;5.68,6.07,;5.37,4.56,;6.29,3.33,;5.68,1.91,;6.62,.69,;4.15,1.73,;3.23,2.97,;1.71,2.74,;.81,3.98,;-.73,3.82,;-1.16,5.3,;-1.35,2.42,;-.45,1.17,;-1.35,-.07,;-.83,-1.52,;.68,-1.81,;1.21,-3.26,;2.72,-3.56,;3.22,-5.02,;4.74,-5.21,;5.34,-6.63,;6.86,-6.87,;4.41,-7.86,;4.92,-9.31,;2.88,-7.66,;1.95,-8.89,;2.29,-6.24,;-2.82,.4,;-4.15,-.37,;-5.48,.4,;-5.48,1.94,;-6.86,2.63,;-4.15,2.71,;-4.15,4.25,;-5.4,5.16,;-6.86,4.68,;-4.92,6.62,;-3.38,6.62,;-2.61,7.95,;-2.91,5.16,;-1.44,4.68,;-2.82,1.94,;1.08,1.33,;2,.1,;3.84,4.38,;4.16,8.36,;2.74,8.97,;5.39,9.28,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597103
(US11596639, Example 710)Show SMILES COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(c(CCCOc5cc(C)c(Cl)c(C)c5)c5ccc(Cl)c(-c6c(C)nn(C)c6C)c45)C3=O)c12)C(O)=O |r,wD:15.15,(-.47,9.34,;-.09,7.89,;1.4,7.46,;1.88,6.06,;3.38,5.68,;4.44,6.74,;5.78,5.97,;5.49,4.48,;6.36,3.27,;5.78,1.88,;6.7,.63,;4.24,1.73,;3.38,2.89,;1.84,2.74,;.92,3.99,;-.52,3.85,;-.95,5.25,;-1.2,2.45,;-.28,1.25,;-1.2,,;-.71,-1.44,;.83,-1.83,;1.26,-3.18,;2.75,-3.56,;3.18,-4.96,;4.68,-5.34,;5.11,-6.69,;6.65,-7.03,;4.15,-7.89,;4.63,-9.34,;2.65,-7.56,;1.69,-8.76,;2.22,-6.11,;-2.69,.48,;-3.94,-.29,;-5.24,.43,;-5.24,1.97,;-6.68,2.74,;-3.99,2.74,;-3.99,4.28,;-2.74,5.19,;-1.28,4.71,;-3.22,6.65,;-4.76,6.65,;-5.53,7.99,;-5.23,5.19,;-6.7,4.71,;-2.64,1.97,;1.21,1.4,;2.13,.14,;3.95,4.38,;4.29,8.28,;2.8,8.85,;5.59,9.14,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597104
(US11596639, Example 711)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(8.07,-2.99,;7.14,-1.76,;5.61,-1.93,;4.7,-.69,;5.32,.72,;4.41,1.97,;2.87,1.83,;2,2.98,;.46,2.84,;-.45,4.09,;-1.89,3.95,;-2.33,5.34,;-2.57,2.55,;-1.65,1.35,;-2.57,.1,;-2.09,-1.35,;-.55,-1.73,;-.11,-3.08,;1.38,-3.46,;1.81,-4.86,;3.3,-5.25,;3.74,-6.59,;5.28,-6.93,;2.77,-7.8,;3.25,-9.24,;1.28,-7.46,;.32,-8.66,;.85,-6.02,;-4.06,.58,;-5.31,-.19,;-6.61,.53,;-6.61,2.07,;-8.05,2.84,;-5.36,2.84,;-5.36,4.38,;-6.61,5.28,;-8.07,4.81,;-6.13,6.75,;-4.59,6.75,;-3.82,8.08,;-4.11,5.28,;-2.65,4.81,;-4.01,2.07,;-.16,1.49,;.75,.24,;2.58,4.48,;2,5.77,;.51,6.16,;3.06,6.83,;4.41,6.06,;4.12,4.57,;4.99,3.37,;2.92,8.37,;1.43,8.95,;4.22,9.24,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597105
(US11596639, Example 712)Show SMILES COCCOc1cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)c2n(C)c(cc2c1)C(O)=O |r,wD:10.10,(8.07,-2.99,;7.14,-1.76,;5.61,-1.93,;4.7,-.69,;5.32,.72,;4.41,1.97,;2.87,1.83,;2,2.98,;.46,2.84,;-.45,4.09,;-1.89,3.95,;-2.33,5.34,;-2.57,2.55,;-1.65,1.35,;-2.57,.1,;-2.09,-1.35,;-.55,-1.73,;-.11,-3.08,;1.38,-3.46,;1.81,-4.86,;3.3,-5.25,;3.74,-6.59,;5.28,-6.93,;2.77,-7.8,;3.25,-9.24,;1.28,-7.46,;.32,-8.66,;.85,-6.02,;-4.06,.58,;-5.31,-.19,;-6.61,.53,;-6.61,2.07,;-8.05,2.84,;-5.36,2.84,;-5.36,4.38,;-4.11,5.28,;-2.65,4.81,;-4.59,6.75,;-6.13,6.75,;-6.9,8.08,;-6.61,5.28,;-8.07,4.81,;-4.01,2.07,;-.16,1.49,;.75,.24,;2.58,4.48,;2,5.77,;.51,6.16,;3.06,6.83,;4.41,6.06,;4.12,4.57,;4.99,3.37,;2.92,8.37,;1.43,8.95,;4.22,9.24,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597106
(US11596639, Example 713)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.95,5.05,;-.52,3.65,;.92,3.8,;1.84,2.55,;1.21,1.2,;2.13,-.05,;-.28,1.05,;-1.2,-.2,;-.71,-1.64,;.83,-2.03,;1.26,-3.37,;2.75,-3.76,;3.18,-5.15,;4.68,-5.54,;5.11,-6.89,;6.65,-7.22,;4.15,-8.09,;4.63,-9.53,;2.65,-7.75,;1.69,-8.96,;2.22,-6.31,;-2.69,.28,;-3.94,-.49,;-5.24,.24,;-5.24,1.78,;-6.68,2.55,;-3.99,2.55,;-3.99,4.09,;-5.23,4.99,;-6.7,4.52,;-4.76,6.46,;-3.22,6.46,;-2.45,7.79,;-2.74,4.99,;-1.28,4.52,;-2.64,1.78,;-1.2,2.26,;3.38,2.69,;4.24,1.54,;5.78,1.68,;6.7,.43,;6.36,3.08,;5.49,4.28,;5.78,5.77,;4.44,6.54,;4.29,8.08,;2.8,8.66,;5.59,8.95,;3.38,5.48,;1.88,5.87,;.8,6.96,;1.19,8.44,;.11,9.53,;-1.38,9.13,;-1.78,7.65,;-.69,6.56,;3.95,4.18,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597107
(US11596639, Example 714)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(C)cc2cc(C(O)=O)n(Cc3ccccn3)c12 |r,wD:1.0,(-.95,5.05,;-.52,3.65,;.92,3.8,;1.84,2.55,;1.21,1.2,;2.13,-.05,;-.28,1.05,;-1.2,-.2,;-.71,-1.64,;.83,-2.03,;1.26,-3.37,;2.75,-3.76,;3.18,-5.15,;4.68,-5.54,;5.11,-6.89,;6.65,-7.22,;4.15,-8.09,;4.63,-9.53,;2.65,-7.75,;1.69,-8.96,;2.22,-6.31,;-2.69,.28,;-3.94,-.49,;-5.24,.24,;-5.24,1.78,;-6.68,2.55,;-3.99,2.55,;-3.99,4.09,;-2.74,4.99,;-1.28,4.52,;-3.22,6.46,;-4.76,6.46,;-5.53,7.79,;-5.23,4.99,;-6.7,4.52,;-2.64,1.78,;-1.2,2.26,;3.38,2.69,;4.24,1.54,;5.78,1.68,;6.7,.43,;6.36,3.08,;5.49,4.28,;5.78,5.77,;4.44,6.54,;4.29,8.08,;2.8,8.66,;5.59,8.95,;3.38,5.48,;1.88,5.87,;.8,6.96,;1.19,8.44,;.11,9.53,;-1.38,9.13,;-1.78,7.65,;-.69,6.56,;3.95,4.18,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM597108
(US11596639, Example 715)Show SMILES C[C@@H]1CN(C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12)c1cc(CCN2CCOCC2)cc2cc(C(O)=O)n(C)c12 |r,wD:1.0,(-1.95,5.67,;-1.95,4.13,;-.41,4.29,;.49,3.05,;-.13,1.64,;.77,.39,;-1.67,1.48,;-2.57,.23,;-2.17,-1.25,;-.69,-1.65,;-.29,-3.14,;1.2,-3.54,;1.6,-5.03,;3.09,-5.42,;3.49,-6.91,;4.97,-7.31,;2.4,-8,;2.79,-9.49,;.91,-7.6,;-.18,-8.69,;.51,-6.12,;-4.04,.71,;-5.37,-.06,;-6.7,.71,;-6.7,2.25,;-8.04,3.02,;-5.37,3.02,;-5.37,4.56,;-6.62,5.46,;-8.08,4.99,;-6.14,6.93,;-4.6,6.93,;-3.69,8.17,;-4.12,5.46,;-2.66,4.99,;-4.04,2.25,;-2.57,2.73,;2.02,3.21,;2.93,1.96,;4.46,2.12,;5.36,.88,;4.74,-.53,;5.64,-1.78,;5.02,-3.18,;5.92,-4.43,;7.45,-4.27,;8.08,-2.86,;7.18,-1.61,;5.09,3.53,;4.18,4.78,;4.5,6.28,;3.17,7.05,;3.01,8.58,;4.25,9.49,;1.6,9.21,;2.02,6.02,;.52,6.34,;2.65,4.61,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Measurements were carried out in OptiPlate-384 White Opaque 384-well plates (Perkin Elmer. Shelton, Conn.). The assay was run using a fluorescein iso... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2028WFX |
More data for this
Ligand-Target Pair | |
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