Found 416 hits Enz. Inhib. hit(s) with all data for entry = 10379 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50148865
(CHEMBL3769699 | US10533010, Example I-31 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCn3c12 |(-4.99,3.6,;-3.83,3.99,;-3.36,5.46,;-1.82,5.47,;-1.1,6.48,;-1.33,4.01,;-.16,3.63,;-2.57,3.12,;-2.56,1.58,;-3.8,.85,;-3.8,-.62,;-2.56,-1.35,;-1.26,-.62,;,-1.35,;0,-2.9,;1.34,-3.66,;1.34,-5.21,;2.68,-5.97,;2.68,-7.51,;4.01,-8.28,;4.01,-9.82,;5.08,-10.44,;2.68,-10.59,;2.68,-11.83,;1.35,-9.82,;.28,-10.44,;1.35,-8.28,;1.26,-.62,;2.54,-1.35,;2.54,-2.59,;3.84,-.62,;5.17,-1.39,;6.51,-.62,;7.84,-1.38,;9.17,-.61,;9.17,.93,;7.83,1.7,;6.5,.92,;7.83,3.24,;8.89,3.86,;6.76,3.85,;3.84,.85,;2.54,1.58,;1.26,.85,;-1.26,.85,)| Show InChI InChI=1S/C36H37ClN4O4/c1-21-17-27(18-22(2)32(21)37)45-16-8-13-29-28-11-7-12-30(31-23(3)38-39(5)24(31)4)33(28)41-15-14-40(35(42)34(29)41)20-25-9-6-10-26(19-25)36(43)44/h6-7,9-12,17-19H,8,13-16,20H2,1-5H3,(H,43,44) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244141
(CHEMBL4094135 | US10533010, Example I-32 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(50.41,-5.64,;48.94,-5.17,;48.46,-3.7,;46.92,-3.71,;46.01,-2.46,;46.45,-5.17,;44.99,-5.65,;47.7,-6.07,;47.71,-7.62,;46.38,-8.39,;46.37,-9.94,;47.71,-10.71,;49.04,-9.94,;50.52,-10.42,;50.99,-11.88,;52.5,-12.2,;52.98,-13.66,;54.48,-13.98,;54.96,-15.45,;56.46,-15.76,;56.94,-17.22,;58.45,-17.53,;55.91,-18.37,;56.39,-19.84,;54.4,-18.05,;53.37,-19.2,;53.92,-16.59,;51.43,-9.16,;52.98,-9.22,;53.6,-10.64,;54,-8.04,;55.49,-8.45,;56.57,-7.36,;56.16,-5.89,;57.23,-4.8,;58.72,-5.18,;59.12,-6.66,;58.04,-7.75,;60.61,-7.05,;61.69,-5.96,;61.02,-8.54,;53.72,-6.51,;52.35,-5.78,;50.92,-6.4,;50.52,-7.91,;49.04,-8.39,)| Show InChI InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50148863
(CHEMBL3769721 | US10533010, Example I-177 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cccc(c1)C(O)=O |(-2.97,6.8,;-1.74,6.82,;-.84,8.07,;.63,7.6,;1.62,8.33,;.63,6.06,;1.63,5.34,;-.82,5.6,;-1.28,4.13,;-2.78,3.79,;-3.62,4.7,;-3.29,2.24,;-2.24,1.12,;-.72,1.5,;.52,.64,;.55,-.9,;1.9,-1.64,;1.93,-3.18,;3.28,-3.93,;3.31,-5.47,;4.65,-6.22,;4.68,-7.76,;5.76,-8.35,;3.36,-8.55,;3.38,-9.78,;2.01,-7.8,;.96,-8.44,;1.99,-6.26,;1.74,1.56,;3.17,1,;3.26,-.23,;4.51,1.78,;4.73,3.25,;3.69,4.39,;2.14,4.29,;1.28,2.98,;-.24,2.98,;5.78,.92,;7.14,1.66,;8.45,.86,;8.42,-.68,;7.07,-1.42,;5.76,-.62,;7.04,-2.96,;8.09,-3.6,;5.96,-3.55,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-17-26(18-21(2)32(20)38)46-16-7-11-27-28-12-13-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-15-8-14-41(35(43)34(27)42)25-10-6-9-24(19-25)36(44)45/h6,9-10,12-13,17-19H,7-8,11,14-16H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429092
(US10533010, Example I-190 | US11208415, Example I-...)Show SMILES Cc1nn(CCN2CCOCC2)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1ccc(cc1)C(O)=O |(-.81,3.31,;-2.15,4.08,;-2.62,5.54,;-4.16,5.54,;-4.93,6.88,;-6.47,6.88,;-7.24,8.21,;-6.47,9.54,;-7.24,10.88,;-8.78,10.88,;-9.55,9.54,;-8.78,8.21,;-4.64,4.08,;-5.97,3.31,;-3.39,3.17,;-3.39,1.63,;-4.73,.86,;-6.06,1.63,;-4.73,-.68,;-3.39,-1.45,;-2.06,-.68,;-.59,-1.15,;-.19,-2.64,;1.29,-3.04,;1.69,-4.53,;3.18,-4.93,;3.58,-6.41,;5.06,-6.81,;5.46,-8.3,;6.95,-8.7,;4.37,-9.39,;4.77,-10.88,;2.89,-8.99,;1.8,-10.08,;2.49,-7.5,;.31,.09,;-.59,1.34,;-2.06,.86,;1.85,.09,;2.62,-1.24,;2.62,1.43,;4.16,1.43,;4.93,.09,;6.47,.09,;7.3,1.43,;6.47,2.76,;4.93,2.76,;8.84,1.43,;9.61,.09,;9.61,2.76,)| Show InChI InChI=1S/C38H41Cl2N5O5/c1-22-20-28(21-23(2)34(22)40)50-17-5-6-29-30-11-12-31(39)33(32-24(3)43-45(25(32)4)14-13-44-15-18-49-19-16-44)35(30)42-36(29)37(46)41-27-9-7-26(8-10-27)38(47)48/h7-12,20-21,42H,5-6,13-19H2,1-4H3,(H,41,46)(H,47,48) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429091
(US10533010, Example I-189 | US11208415, Example I-...)Show SMILES CN(C(=O)c1c(CCCOc2cc(C)c(Cl)c(C)c2)c2ccc(Cl)c(-c3c(C)nn(C)c3C)c2n1C)c1cccc(c1)C(O)=O |(.49,4.76,;1.26,3.43,;.49,2.09,;1.26,.76,;-1.05,2.09,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-3.42,1.32,;-4.75,.55,;-6.09,1.32,;-6.09,2.86,;-7.42,3.63,;-4.75,3.63,;-4.75,5.17,;-3.51,6.08,;-2.17,5.31,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-3.42,2.86,;-1.95,3.34,;-1.18,4.67,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,)| Show InChI InChI=1S/C35H36Cl2N4O4/c1-19-16-25(17-20(2)31(19)37)45-15-9-12-26-27-13-14-28(36)30(29-21(3)38-41(7)22(29)4)32(27)40(6)33(26)34(42)39(5)24-11-8-10-23(18-24)35(43)44/h8,10-11,13-14,16-18H,9,12,15H2,1-7H3,(H,43,44) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244117
(CHEMBL4094779 | US10533010, Example I-80 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cccc(c4)C(O)=O)CCCn3c12 |(29.45,-25.81,;27.99,-25.34,;27.5,-23.88,;25.96,-23.88,;25.06,-22.64,;25.49,-25.35,;24.03,-25.83,;26.74,-26.25,;26.75,-27.8,;25.42,-28.57,;24.09,-27.8,;25.42,-30.11,;26.75,-30.88,;28.09,-30.11,;29.56,-30.59,;30.04,-32.05,;31.54,-32.37,;32.02,-33.84,;33.53,-34.16,;34,-35.62,;35.5,-35.94,;35.98,-37.39,;37.49,-37.71,;34.95,-38.55,;35.43,-40.01,;33.44,-38.23,;32.41,-39.37,;32.97,-36.76,;30.47,-29.33,;32.03,-29.4,;32.64,-30.81,;33.05,-28.22,;34.54,-28.62,;35.63,-27.53,;35.23,-26.05,;36.31,-24.96,;37.81,-25.36,;38.2,-26.85,;37.11,-27.94,;39.69,-27.25,;40.78,-26.17,;40.09,-28.74,;32.76,-26.69,;31.39,-25.95,;29.97,-26.58,;29.56,-28.08,;28.09,-28.56,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-21-17-27(18-22(2)33(21)39)47-16-7-11-28-29-12-13-30(38)32(31-23(3)40-41(5)24(31)4)34(29)43-15-8-14-42(36(44)35(28)43)20-25-9-6-10-26(19-25)37(45)46/h6,9-10,12-13,17-19H,7-8,11,14-16,20H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50148862
(CHEMBL3771322 | US10533010, Example I-280 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.45,4.07,;7.2,5.42,;8.74,5.44,;9.53,4.12,;8.78,2.77,;6.41,6.74,;7.01,7.81,;5.18,6.72,)| Show InChI InChI=1S/C33H34ClN5O4/c1-18-14-24(15-19(2)29(18)34)43-13-7-10-26-25-8-6-9-27(28-20(3)38-39(5)21(28)4)30(25)37-31(26)32(40)36-17-23-16-22(33(41)42)11-12-35-23/h6,8-9,11-12,14-16,37H,7,10,13,17H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244112
(CHEMBL4060484 | US10533010, Example I-181 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cncc(c1)C(O)=O |(51.14,-43.83,;49.68,-43.36,;49.2,-41.9,;47.66,-41.9,;46.75,-40.66,;47.19,-43.37,;45.72,-43.85,;48.43,-44.27,;48.44,-45.82,;47.11,-46.59,;45.78,-45.82,;47.11,-48.13,;48.45,-48.9,;49.78,-48.13,;51.25,-48.61,;51.73,-50.08,;53.24,-50.4,;53.71,-51.86,;55.22,-52.18,;55.7,-53.64,;57.2,-53.96,;57.68,-55.42,;59.18,-55.73,;56.65,-56.57,;57.12,-58.03,;55.14,-56.25,;54.11,-57.39,;54.66,-54.79,;52.17,-47.36,;51.25,-46.1,;49.78,-46.58,;53.71,-47.36,;54.48,-48.69,;54.48,-46.02,;56.02,-46.02,;56.78,-44.69,;58.31,-44.69,;59.09,-46.02,;58.32,-47.36,;56.78,-47.36,;59.09,-48.69,;60.63,-48.69,;58.32,-50.03,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-11-22(12-17(2)28(16)34)43-10-6-7-23-24-8-9-25(33)27(26-18(3)38-39(5)19(26)4)29(24)37-30(23)31(40)36-21-13-20(32(41)42)14-35-15-21/h8-9,11-15,37H,6-7,10H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244187
(CHEMBL4076607 | US10533010, Example I-183 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cc(ccn1)C(O)=O |(8.08,-4.59,;6.61,-4.12,;6.13,-2.65,;4.59,-2.66,;3.68,-1.41,;4.12,-4.12,;2.66,-4.6,;5.37,-5.02,;5.38,-6.57,;4.05,-7.34,;2.72,-6.57,;4.05,-8.89,;5.38,-9.66,;6.71,-8.89,;8.19,-9.37,;8.67,-10.83,;10.17,-11.15,;10.65,-12.61,;12.15,-12.93,;12.63,-14.4,;14.13,-14.71,;14.61,-16.17,;16.12,-16.48,;13.58,-17.32,;14.06,-18.79,;12.07,-17,;11.04,-18.15,;11.6,-15.54,;9.1,-8.11,;8.19,-6.86,;6.71,-7.34,;10.64,-8.11,;11.41,-9.44,;11.41,-6.78,;12.95,-6.77,;13.72,-8.11,;15.25,-8.11,;16.03,-6.78,;15.25,-5.44,;13.71,-5.45,;16.02,-9.45,;17.56,-9.45,;15.25,-10.78,)| Show InChI InChI=1S/C32H31Cl2N5O4/c1-16-13-21(14-17(2)28(16)34)43-12-6-7-22-23-8-9-24(33)27(26-18(3)38-39(5)19(26)4)29(23)37-30(22)31(40)36-25-15-20(32(41)42)10-11-35-25/h8-11,13-15,37H,6-7,12H2,1-5H3,(H,41,42)(H,35,36,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429090
(US10533010, Example I-188 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)Nc3cccc(c3)C(O)=O)n(C)c12 |(-2.17,5.31,;-3.51,6.08,;-3.98,7.54,;-5.52,7.54,;-6.29,8.88,;-6,6.08,;-7.33,5.31,;-4.75,5.17,;-4.75,3.63,;-6.09,2.86,;-7.42,3.63,;-6.09,1.32,;-4.75,.55,;-3.42,1.32,;-1.95,.85,;-1.56,-.64,;-.07,-1.04,;.33,-2.53,;1.82,-2.93,;2.22,-4.41,;3.7,-4.81,;4.1,-6.3,;5.59,-6.7,;3.01,-7.39,;3.41,-8.88,;1.53,-6.99,;.44,-8.08,;1.13,-5.5,;-1.05,2.09,;.49,2.09,;1.26,.76,;1.26,3.43,;2.8,3.43,;3.57,2.09,;5.11,2.09,;5.88,3.43,;5.14,4.81,;3.57,4.76,;5.91,6.14,;5.14,7.48,;7.45,6.14,;-1.95,3.34,;-1.18,4.67,;-3.42,2.86,)| Show InChI InChI=1S/C34H34Cl2N4O4/c1-18-15-24(16-19(2)30(18)36)44-14-8-11-25-26-12-13-27(35)29(28-20(3)38-40(6)21(28)4)31(26)39(5)32(25)33(41)37-23-10-7-9-22(17-23)34(42)43/h7,9-10,12-13,15-17H,8,11,14H2,1-6H3,(H,37,41)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244111
(CHEMBL4082389 | US10533010, Example I-39 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)Nc1cccc(c1)C(O)=O |(30.41,-43.18,;28.94,-42.71,;28.46,-41.25,;26.92,-41.25,;26.01,-40.01,;26.45,-42.72,;24.99,-43.2,;27.7,-43.62,;27.71,-45.16,;26.38,-45.94,;25.05,-45.17,;26.38,-47.48,;27.71,-48.25,;29.04,-47.48,;30.52,-47.96,;31,-49.42,;32.5,-49.74,;32.98,-51.21,;34.48,-51.53,;34.96,-52.99,;36.46,-53.3,;36.94,-54.76,;38.45,-55.08,;35.91,-55.92,;36.39,-57.38,;34.4,-55.6,;33.37,-56.74,;33.93,-54.13,;31.43,-46.7,;30.52,-45.45,;29.04,-45.93,;32.97,-46.7,;33.74,-48.04,;33.74,-45.37,;35.28,-45.37,;36.04,-44.04,;37.58,-44.03,;38.36,-45.37,;37.58,-46.71,;36.05,-46.71,;38.35,-48.04,;39.89,-48.04,;37.58,-49.37,)| Show InChI InChI=1S/C33H32Cl2N4O4/c1-17-14-23(15-18(2)29(17)35)43-13-7-10-24-25-11-12-26(34)28(27-19(3)38-39(5)20(27)4)30(25)37-31(24)32(40)36-22-9-6-8-21(16-22)33(41)42/h6,8-9,11-12,14-16,37H,7,10,13H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
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PDB
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Similars
| PDB
US Patent
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM428986
(US10533010, Example I-71 | US11208415, Example I-7...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1c[nH]c(c1)C(O)=O |(-2.63,5.31,;-3.97,6.08,;-4.44,7.54,;-5.98,7.54,;-6.75,8.88,;-6.46,6.08,;-7.79,5.31,;-5.21,5.17,;-5.21,3.63,;-6.55,2.86,;-6.55,1.32,;-5.21,.55,;-3.88,1.32,;-2.42,.85,;-2.02,-.64,;-.53,-1.04,;-.13,-2.53,;1.36,-2.93,;1.76,-4.41,;3.24,-4.81,;3.64,-6.3,;5.13,-6.7,;2.55,-7.39,;2.95,-8.88,;1.07,-6.99,;-.02,-8.08,;.67,-5.5,;-1.51,2.09,;-2.42,3.34,;-3.88,2.86,;.03,2.09,;.8,.76,;.8,3.43,;2.34,3.43,;3.11,2.09,;2.63,.63,;3.88,-.28,;5.13,.63,;4.65,2.09,;6.46,-.14,;6.46,-1.68,;7.79,.63,)| Show InChI InChI=1S/C32H34ClN5O4/c1-17-12-22(13-18(2)28(17)33)42-11-7-10-24-23-8-6-9-25(27-19(3)37-38(5)20(27)4)29(23)36-30(24)31(39)35-16-21-14-26(32(40)41)34-15-21/h6,8-9,12-15,34,36H,7,10-11,16H2,1-5H3,(H,35,39)(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50148864
(CHEMBL3771122 | US10533010, Example I-74 | US11208...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)n(C)c1 |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.78,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.59,4.13,;7.71,5.17,;7.53,6.7,;8.51,7.44,;6.39,7.18,;9.06,4.42,;10.18,4.94,;8.76,2.91,)| Show InChI InChI=1S/C33H36ClN5O4/c1-18-13-23(14-19(2)29(18)34)43-12-8-11-25-24-9-7-10-26(28-20(3)37-39(6)21(28)4)30(24)36-31(25)32(40)35-16-22-15-27(33(41)42)38(5)17-22/h7,9-10,13-15,17,36H,8,11-12,16H2,1-6H3,(H,35,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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Similars
| US Patent
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429151
(US10533010, Example I-256 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(cc2n(C)cc(Br)c12)C(O)=O |(-2.49,5.31,;-3.82,6.08,;-4.29,7.54,;-5.83,7.54,;-6.6,8.88,;-6.31,6.08,;-7.64,5.31,;-5.06,5.17,;-5.06,3.63,;-6.4,2.86,;-7.73,3.63,;-6.4,1.32,;-5.06,.55,;-3.73,1.32,;-2.27,.85,;-1.87,-.64,;-.38,-1.04,;.02,-2.53,;1.51,-2.93,;1.9,-4.41,;3.39,-4.81,;3.79,-6.3,;5.28,-6.7,;2.7,-7.39,;3.1,-8.88,;1.21,-6.99,;.13,-8.08,;.82,-5.5,;-1.36,2.09,;.18,2.09,;.95,.76,;1.19,3.25,;.92,4.77,;-.44,5.5,;-1.86,4.89,;-2.27,3.34,;-3.73,2.86,;2.68,2.85,;3,1.35,;4.46,.87,;5.61,1.9,;5.29,3.41,;6.19,4.65,;7.73,4.65,;5.29,5.9,;3.82,5.42,;2.49,6.19,;3.82,3.88,;4.78,-.64,;3.64,-1.67,;6.25,-1.11,)| Show InChI InChI=1S/C39H38BrCl2N5O4/c1-20-15-25(16-21(2)35(20)42)51-14-7-9-26-27-10-11-29(41)34(32-22(3)43-45(6)23(32)4)36(27)47-13-8-12-46(38(48)37(26)47)31-18-24(39(49)50)17-30-33(31)28(40)19-44(30)5/h10-11,15-19H,7-9,12-14H2,1-6H3,(H,49,50) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429152
(US10533010, Example I-257 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2c(Cl)cn(C)c2c1 |(-2.62,5.31,;-3.95,6.08,;-4.43,7.54,;-5.97,7.54,;-6.74,8.88,;-6.44,6.08,;-7.78,5.31,;-5.2,5.17,;-5.2,3.63,;-6.53,2.86,;-7.87,3.63,;-6.53,1.32,;-5.2,.55,;-3.87,1.32,;-2.4,.85,;-2,-.64,;-.51,-1.04,;-.12,-2.53,;1.37,-2.93,;1.77,-4.41,;3.26,-4.81,;3.66,-6.3,;5.14,-6.7,;2.57,-7.39,;2.97,-8.88,;1.08,-6.99,;-.01,-8.08,;.68,-5.5,;-1.5,2.09,;.04,2.09,;.81,.76,;1.06,3.25,;.78,4.77,;-.57,5.5,;-1.99,4.89,;-2.4,3.34,;-3.87,2.86,;2.54,2.85,;3.02,1.39,;4.53,1.07,;5,-.4,;3.97,-1.54,;6.51,-.72,;5.56,2.21,;7.1,2.21,;7.87,.88,;7.57,3.68,;6.33,4.58,;6.33,6.12,;5.08,3.68,;3.57,4,)| Show InChI InChI=1S/C39H38Cl3N5O4/c1-20-15-25(16-21(2)35(20)42)51-14-7-9-26-27-10-11-29(40)34(32-22(3)43-45(6)23(32)4)36(27)47-13-8-12-46(38(48)37(26)47)24-17-28(39(49)50)33-30(41)19-44(5)31(33)18-24/h10-11,15-19H,7-9,12-14H2,1-6H3,(H,49,50) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429153
(US10533010, Example I-258 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2c(Br)cn(C)c2c1 |(-2.62,5.31,;-3.95,6.08,;-4.43,7.54,;-5.97,7.54,;-6.74,8.88,;-6.44,6.08,;-7.78,5.31,;-5.2,5.17,;-5.2,3.63,;-6.53,2.86,;-7.87,3.63,;-6.53,1.32,;-5.2,.55,;-3.87,1.32,;-2.4,.85,;-2,-.64,;-.51,-1.04,;-.12,-2.53,;1.37,-2.93,;1.77,-4.41,;3.26,-4.81,;3.66,-6.3,;5.14,-6.7,;2.57,-7.39,;2.97,-8.88,;1.08,-6.99,;-.01,-8.08,;.68,-5.5,;-1.5,2.09,;.04,2.09,;.81,.76,;1.06,3.25,;.78,4.77,;-.57,5.5,;-1.99,4.89,;-2.4,3.34,;-3.87,2.86,;2.54,2.85,;3.02,1.39,;4.53,1.07,;5,-.4,;3.97,-1.54,;6.51,-.72,;5.56,2.21,;7.1,2.21,;7.87,.88,;7.57,3.68,;6.33,4.58,;6.33,6.12,;5.08,3.68,;3.57,4,)| Show InChI InChI=1S/C39H38BrCl2N5O4/c1-20-15-25(16-21(2)35(20)42)51-14-7-9-26-27-10-11-30(41)34(32-22(3)43-45(6)23(32)4)36(27)47-13-8-12-46(38(48)37(26)47)24-17-28(39(49)50)33-29(40)19-44(5)31(33)18-24/h10-11,15-19H,7-9,12-14H2,1-6H3,(H,49,50) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244103
(CHEMBL4071980 | US10533010, Example I-267 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(o1)C(O)=O |(8.68,-22.93,;7.21,-22.46,;6.73,-20.99,;5.19,-21,;4.28,-19.75,;4.72,-22.46,;3.26,-22.94,;5.97,-23.36,;5.98,-24.91,;4.65,-25.68,;4.65,-27.23,;5.98,-28,;7.31,-27.23,;8.79,-27.7,;9.26,-29.17,;10.77,-29.49,;11.25,-30.95,;12.75,-31.27,;13.23,-32.74,;14.73,-33.05,;15.21,-34.51,;16.72,-34.82,;14.18,-35.66,;14.66,-37.13,;12.67,-35.34,;11.64,-36.49,;12.2,-33.88,;9.7,-26.45,;8.79,-25.2,;7.31,-25.67,;11.24,-26.45,;12.01,-27.78,;12.01,-25.12,;13.55,-25.11,;14.32,-23.78,;13.69,-22.37,;14.84,-21.34,;16.17,-22.11,;15.85,-23.61,;17.58,-21.48,;17.74,-19.95,;18.82,-22.39,)| Show InChI InChI=1S/C32H33ClN4O5/c1-17-14-22(15-18(2)28(17)33)41-13-7-10-24-23-8-6-9-25(27-19(3)36-37(5)20(27)4)29(23)35-30(24)31(38)34-16-21-11-12-26(42-21)32(39)40/h6,8-9,11-12,14-15,35H,7,10,13,16H2,1-5H3,(H,34,38)(H,39,40) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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UniChem
Similars
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429155
(US10533010, Example I-270 | US11208415, Example I-...)Show SMILES CC[C@H](C)[C@H](NC(=O)c1ccc(CNC(=O)c2[nH]c3c(cccc3c2CCCOc2cc(C)c(Cl)c(C)c2)-c2c(C)nn(C)c2C)o1)C(O)=O |r,wU:4.4,2.2,(-13.88,5.68,;-12.64,6.59,;-11.23,5.96,;-11.07,4.43,;-9.98,6.87,;-8.58,6.24,;-7.33,7.15,;-7.49,8.68,;-5.92,6.52,;-4.59,7.29,;-3.45,6.26,;-4.07,4.85,;-3.3,3.52,;-1.76,3.52,;-.99,2.19,;-1.76,.85,;.55,2.19,;1.45,3.43,;2.92,2.96,;4.25,3.73,;5.59,2.96,;5.59,1.42,;4.25,.65,;2.92,1.42,;1.45,.94,;.98,-.52,;2.01,-1.67,;1.53,-3.13,;2.56,-4.28,;2.09,-5.74,;.58,-6.06,;.1,-7.53,;-1.4,-7.85,;1.13,-8.67,;.66,-10.14,;2.64,-8.35,;3.67,-9.5,;3.12,-6.89,;4.25,5.27,;3.01,6.17,;1.54,5.7,;3.48,7.64,;5.02,7.64,;5.93,8.88,;5.5,6.17,;6.96,5.7,;-5.6,5.01,;-10.14,8.4,;-8.9,9.31,;-11.55,9.03,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429156
(US10533010, Example I-271 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1ccc(o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:42.46,(-6.11,5.31,;-7.44,6.08,;-7.92,7.54,;-9.46,7.54,;-10.23,8.88,;-9.93,6.08,;-11.27,5.31,;-8.69,5.17,;-8.69,3.63,;-10.02,2.86,;-10.02,1.32,;-8.69,.55,;-7.35,1.32,;-5.89,.85,;-5.49,-.64,;-4,-1.04,;-3.6,-2.53,;-2.12,-2.93,;-1.72,-4.41,;-.23,-4.81,;.17,-6.3,;1.65,-6.7,;-.92,-7.39,;-.52,-8.88,;-2.41,-6.99,;-3.5,-8.08,;-2.81,-5.5,;-4.98,2.09,;-5.89,3.34,;-7.35,2.86,;-3.44,2.09,;-2.67,.76,;-2.67,3.43,;-1.13,3.43,;-.36,4.76,;-.84,6.22,;.41,7.13,;1.65,6.22,;1.18,4.76,;3.14,6.62,;3.54,8.11,;4.23,5.53,;5.72,5.93,;6.11,7.42,;7.6,7.82,;8,9.31,;9.49,9.7,;10.58,8.62,;10.18,7.13,;8.69,6.73,;6.8,4.84,;8.29,5.24,;6.41,3.36,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429157
(US10533010, Example I-273 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)c(C)o1 |(-2.59,5.31,;-3.92,6.08,;-4.4,7.54,;-5.94,7.54,;-6.71,8.88,;-6.41,6.08,;-7.75,5.31,;-5.17,5.17,;-5.17,3.63,;-6.5,2.86,;-6.5,1.32,;-5.17,.55,;-3.83,1.32,;-2.37,.85,;-1.97,-.64,;-.48,-1.04,;-.09,-2.53,;1.4,-2.93,;1.8,-4.41,;3.29,-4.81,;3.69,-6.3,;5.17,-6.7,;2.6,-7.39,;3,-8.88,;1.11,-6.99,;.02,-8.08,;.71,-5.5,;-1.46,2.09,;-2.37,3.34,;-3.83,2.86,;.08,2.09,;.85,.76,;.85,3.43,;2.39,3.43,;3.16,4.76,;4.7,4.76,;5.17,6.22,;6.66,6.62,;7.75,5.53,;7.06,8.11,;3.93,7.13,;3.93,8.67,;2.68,6.22,)| Show InChI InChI=1S/C33H35ClN4O5/c1-17-13-22(14-18(2)29(17)34)42-12-8-11-25-24-9-7-10-26(28-19(3)37-38(6)20(28)4)30(24)36-31(25)32(39)35-16-23-15-27(33(40)41)21(5)43-23/h7,9-10,13-15,36H,8,11-12,16H2,1-6H3,(H,35,39)(H,40,41) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429158
(US10533010, Example I-277 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(cc(Cl)n1)C(O)=O |(-2.22,4.7,;-3.55,5.47,;-4.03,6.93,;-5.57,6.93,;-6.34,8.27,;-6.04,5.47,;-7.38,4.7,;-4.8,4.56,;-4.8,3.02,;-6.13,2.25,;-6.13,.71,;-4.8,-.06,;-3.46,.71,;-2,.24,;-1.6,-1.25,;-.11,-1.65,;.29,-3.14,;1.77,-3.54,;2.17,-5.02,;3.66,-5.42,;4.06,-6.91,;5.55,-7.31,;2.97,-8,;3.37,-9.49,;1.48,-7.6,;.39,-8.69,;1.08,-6.11,;-1.09,1.48,;-2,2.73,;-3.46,2.25,;.45,1.48,;1.22,.15,;1.22,2.82,;2.76,2.82,;3.53,4.15,;2.76,5.48,;3.53,6.82,;5.07,6.82,;5.84,5.48,;7.38,5.48,;5.07,4.15,;2.76,8.15,;3.53,9.49,;1.22,8.15,)| Show InChI InChI=1S/C33H33Cl2N5O4/c1-17-12-23(13-18(2)29(17)35)44-11-7-10-25-24-8-6-9-26(28-19(3)39-40(5)20(28)4)30(24)38-31(25)32(41)36-16-22-14-21(33(42)43)15-27(34)37-22/h6,8-9,12-15,38H,7,10-11,16H2,1-5H3,(H,36,41)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50148862
(CHEMBL3771322 | US10533010, Example I-280 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(ccn1)C(O)=O |(-3.43,3.61,;-2.26,3.99,;-1.77,5.45,;-.23,5.43,;.5,6.42,;.23,3.96,;1.4,3.56,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.23,-6.24,;7.74,-6.56,;8.22,-8.02,;9.43,-8.27,;7.2,-9.17,;7.58,-10.34,;5.69,-8.86,;4.87,-9.77,;5.21,-7.39,;2.66,.02,;1.76,1.24,;.3,.77,;4.2,.04,;4.83,-1.02,;4.95,1.38,;6.49,1.4,;7.24,2.75,;6.45,4.07,;7.2,5.42,;8.74,5.44,;9.53,4.12,;8.78,2.77,;6.41,6.74,;7.01,7.81,;5.18,6.72,)| Show InChI InChI=1S/C33H34ClN5O4/c1-18-14-24(15-19(2)29(18)34)43-13-7-10-26-25-8-6-9-27(28-20(3)38-39(5)21(28)4)30(25)37-31(26)32(40)36-17-23-16-22(33(41)42)11-12-35-23/h6,8-9,11-12,14-16,37H,7,10,13,17H2,1-5H3,(H,36,40)(H,41,42) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM532462
(US11208415, Example I-282)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cccc(n1)N1CCc2ccccc2C1 |(-4.87,5.34,;-6.2,6.11,;-6.68,7.57,;-8.22,7.57,;-8.99,8.91,;-8.69,6.11,;-10.03,5.34,;-7.45,5.2,;-7.45,3.66,;-8.78,2.89,;-10.11,3.66,;-8.78,1.35,;-7.45,.58,;-6.11,1.35,;-4.65,.88,;-4.25,-.61,;-5.34,-1.7,;-4.94,-3.19,;-6.03,-4.28,;-5.63,-5.76,;-6.72,-6.85,;-6.32,-8.34,;-7.41,-9.43,;-4.83,-8.74,;-4.44,-10.23,;-3.75,-7.65,;-2.26,-8.05,;-4.14,-6.16,;-3.74,2.12,;-4.65,3.37,;-6.11,2.89,;-2.21,2.12,;-1.44,.79,;-1.44,3.46,;.1,3.46,;.87,4.79,;.1,6.12,;.85,7.5,;2.41,7.46,;3.18,6.12,;2.41,4.79,;4.72,6.12,;5.49,7.46,;7.03,7.46,;7.8,6.12,;9.34,6.12,;10.11,4.79,;9.34,3.46,;7.8,3.46,;7.03,4.79,;5.49,4.79,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429161
(US10533010, Example I-283 | US11208415, Example I-...)Show SMILES CC(C)CCNc1cc(OC=O)cc(CNC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)n1 |(7.42,6.82,;8.19,5.48,;9.73,5.48,;7.42,4.15,;5.88,4.15,;5.11,5.48,;3.57,5.48,;2.8,6.82,;1.23,6.87,;.46,8.2,;-1.08,8.2,;-1.85,9.53,;.49,5.48,;1.26,4.15,;.49,2.82,;-1.05,2.82,;-1.82,1.48,;-1.05,.15,;-3.36,1.48,;-4.26,2.73,;-5.73,2.25,;-7.06,3.02,;-7.06,4.56,;-5.82,5.47,;-4.48,4.7,;-6.29,6.93,;-7.83,6.93,;-8.6,8.27,;-8.31,5.47,;-9.64,4.7,;-8.4,2.25,;-9.73,3.02,;-8.4,.71,;-7.06,-.06,;-5.73,.71,;-4.26,.24,;-3.87,-1.25,;-2.38,-1.65,;-1.98,-3.14,;-.49,-3.54,;-.09,-5.02,;1.39,-5.42,;1.79,-6.91,;3.28,-7.31,;.7,-8,;1.1,-9.49,;-.78,-7.6,;-1.87,-8.69,;-1.18,-6.11,;2.8,4.15,)| Show InChI InChI=1S/C38H44Cl2N6O4/c1-21(2)12-13-41-32-18-28(50-20-47)17-26(43-32)19-42-38(48)37-29(9-8-14-49-27-15-22(3)35(40)23(4)16-27)30-10-11-31(39)34(36(30)44-37)33-24(5)45-46(7)25(33)6/h10-11,15-18,20-21,44H,8-9,12-14,19H2,1-7H3,(H,41,43)(H,42,48) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429162
(US10533010, Example I-284 | US11208415, Example I-...)Show SMILES CC(C)CC(=O)N1CCN(CC1)c1cc(OC=O)cc(CNC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)n1 |(10.12,1.48,;9.35,2.82,;7.81,2.82,;10.12,4.15,;9.35,5.48,;10.12,6.82,;7.81,5.48,;7.04,4.15,;5.5,4.15,;4.73,5.48,;5.5,6.82,;7.04,6.82,;3.19,5.48,;2.42,6.82,;.85,6.87,;.08,8.2,;-1.46,8.2,;-2.23,9.53,;.11,5.48,;.88,4.15,;.11,2.82,;-1.43,2.82,;-2.2,1.48,;-1.43,.15,;-3.74,1.48,;-4.65,2.73,;-6.11,2.25,;-7.45,3.02,;-7.45,4.56,;-6.2,5.47,;-4.87,4.7,;-6.68,6.93,;-8.22,6.93,;-8.99,8.27,;-8.69,5.47,;-10.03,4.7,;-8.78,2.25,;-10.12,3.02,;-8.78,.71,;-7.45,-.06,;-6.11,.71,;-4.65,.24,;-4.25,-1.25,;-2.76,-1.65,;-2.37,-3.14,;-.88,-3.54,;-.48,-5.02,;1.01,-5.42,;1.41,-6.91,;2.89,-7.31,;.32,-8,;.72,-9.49,;-1.17,-7.6,;-2.26,-8.69,;-1.57,-6.11,;2.42,4.15,)| Show InChI InChI=1S/C42H49Cl2N7O5/c1-24(2)17-36(53)51-14-12-50(13-15-51)35-21-31(56-23-52)20-29(46-35)22-45-42(54)41-32(9-8-16-55-30-18-25(3)39(44)26(4)19-30)33-10-11-34(43)38(40(33)47-41)37-27(5)48-49(7)28(37)6/h10-11,18-21,23-24,47H,8-9,12-17,22H2,1-7H3,(H,45,54) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429163
(US10533010, Example I-285 | US11208415, Example I-...)Show SMILES CC(C)CCN1CCN(CC1)c1cc(OC=O)cc(CNC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)n1 |(10.12,1.48,;9.35,2.82,;7.81,2.82,;10.12,4.15,;9.35,5.48,;7.81,5.48,;7.04,4.15,;5.5,4.15,;4.73,5.48,;5.5,6.82,;7.04,6.82,;3.19,5.48,;2.42,6.82,;.85,6.87,;.08,8.2,;-1.46,8.2,;-2.23,9.53,;.11,5.48,;.88,4.15,;.11,2.82,;-1.43,2.82,;-2.2,1.48,;-1.43,.15,;-3.74,1.48,;-4.65,2.73,;-6.11,2.25,;-7.45,3.02,;-7.45,4.56,;-6.2,5.47,;-4.87,4.7,;-6.68,6.93,;-8.22,6.93,;-8.99,8.27,;-8.69,5.47,;-10.03,4.7,;-8.78,2.25,;-10.12,3.02,;-8.78,.71,;-7.45,-.06,;-6.11,.71,;-4.65,.24,;-4.25,-1.25,;-2.76,-1.65,;-2.37,-3.14,;-.88,-3.54,;-.48,-5.02,;1.01,-5.42,;1.41,-6.91,;2.89,-7.31,;.32,-8,;.72,-9.49,;-1.17,-7.6,;-2.26,-8.69,;-1.57,-6.11,;2.42,4.15,)| Show InChI InChI=1S/C42H51Cl2N7O4/c1-25(2)12-13-50-14-16-51(17-15-50)36-22-32(55-24-52)21-30(46-36)23-45-42(53)41-33(9-8-18-54-31-19-26(3)39(44)27(4)20-31)34-10-11-35(43)38(40(34)47-41)37-28(5)48-49(7)29(37)6/h10-11,19-22,24-25,47H,8-9,12-18,23H2,1-7H3,(H,45,53) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429164
(US10533010, Example I-286 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(O)=O |(-1.3,5.31,;-2.64,6.08,;-3.11,7.54,;-4.65,7.54,;-5.42,8.88,;-5.13,6.08,;-6.46,5.31,;-3.88,5.17,;-3.88,3.63,;-5.22,2.86,;-5.22,1.32,;-3.88,.55,;-2.55,1.32,;-1.08,.85,;-.68,-.64,;.8,-1.04,;1.2,-2.53,;2.69,-2.93,;3.09,-4.41,;4.58,-4.81,;4.97,-6.3,;6.46,-6.7,;3.88,-7.39,;4.28,-8.88,;2.4,-6.99,;1.31,-8.08,;2,-5.5,;-.18,2.09,;-1.08,3.34,;-2.55,2.86,;1.36,2.09,;2.13,.76,;2.13,3.43,;3.67,3.43,;4.44,4.76,;5.98,4.76,;3.67,6.09,)| Show InChI InChI=1S/C28H31ClN4O4/c1-15-12-19(13-16(2)25(15)29)37-11-7-10-21-20-8-6-9-22(24-17(3)32-33(5)18(24)4)26(20)31-27(21)28(36)30-14-23(34)35/h6,8-9,12-13,31H,7,10-11,14H2,1-5H3,(H,30,36)(H,34,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429165
(US10533010, Example I-290 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(=O)NCC(O)=O |(-2.6,5.31,;-3.94,6.08,;-4.41,7.54,;-5.95,7.54,;-6.72,8.88,;-6.43,6.08,;-7.76,5.31,;-5.18,5.17,;-5.18,3.63,;-6.52,2.86,;-6.52,1.32,;-5.18,.55,;-3.85,1.32,;-2.38,.85,;-1.99,-.64,;-.5,-1.04,;-.1,-2.53,;1.39,-2.93,;1.79,-4.41,;3.27,-4.81,;3.67,-6.3,;5.16,-6.7,;2.58,-7.39,;2.98,-8.88,;1.1,-6.99,;.01,-8.08,;.7,-5.5,;-1.48,2.09,;-2.38,3.34,;-3.85,2.86,;.06,2.09,;.83,.76,;.83,3.43,;2.37,3.43,;3.14,4.76,;2.37,6.09,;4.68,4.76,;5.45,6.09,;6.99,6.09,;7.76,4.76,;7.76,7.43,)| Show InChI InChI=1S/C30H34ClN5O5/c1-16-12-20(13-17(2)27(16)31)41-11-7-10-22-21-8-6-9-23(26-18(3)35-36(5)19(26)4)28(21)34-29(22)30(40)33-14-24(37)32-15-25(38)39/h6,8-9,12-13,34H,7,10-11,14-15H2,1-5H3,(H,32,37)(H,33,40)(H,38,39) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429166
(US10533010, Example I-291 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,wU:37.40,(-2.6,4.03,;-3.94,4.8,;-4.41,6.27,;-5.95,6.27,;-6.72,7.6,;-6.43,4.8,;-7.76,4.03,;-5.18,3.9,;-5.18,2.36,;-6.52,1.59,;-6.52,.05,;-5.18,-.72,;-3.85,.05,;-2.38,-.43,;-1.99,-1.92,;-.5,-2.32,;-.1,-3.8,;1.39,-4.2,;1.79,-5.69,;3.27,-6.09,;3.67,-7.58,;5.16,-7.97,;2.58,-8.66,;2.98,-10.15,;1.1,-8.27,;.01,-9.35,;.7,-6.78,;-1.48,.82,;-2.38,2.06,;-3.85,1.59,;.06,.82,;.83,-.52,;.83,2.15,;2.37,2.15,;3.14,3.48,;2.37,4.82,;4.68,3.48,;5.45,4.82,;4.68,6.15,;5.45,7.48,;4.68,8.82,;5.45,10.15,;6.99,10.15,;7.76,8.82,;6.99,7.48,;6.99,4.82,;7.76,3.48,;7.76,6.15,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429167
(US10533010, Example I-292 | US11208415, Example I-...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1[nH]c2c(cccc2c1CCCOc1cc(C)c(Cl)c(C)c1)-c1c(C)nn(C)c1C)C(O)=O |r,wU:4.4,(4.68,9.49,;5.45,8.15,;6.99,8.15,;4.68,6.82,;5.45,5.48,;4.68,4.15,;3.14,4.15,;2.37,5.48,;2.37,2.82,;.83,2.82,;.06,1.48,;.83,.15,;-1.48,1.48,;-2.38,2.73,;-3.85,2.25,;-5.18,3.02,;-6.52,2.25,;-6.52,.71,;-5.18,-.06,;-3.85,.71,;-2.38,.24,;-1.99,-1.25,;-.5,-1.65,;-.1,-3.14,;1.39,-3.54,;1.79,-5.02,;3.27,-5.42,;3.67,-6.91,;5.16,-7.31,;2.58,-8,;2.98,-9.49,;1.1,-7.6,;.01,-8.69,;.7,-6.11,;-5.18,4.56,;-3.94,5.47,;-2.6,4.7,;-4.41,6.93,;-5.95,6.93,;-6.72,8.27,;-6.43,5.47,;-7.76,4.7,;6.99,5.48,;7.76,4.15,;7.76,6.82,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429168
(US10533010, Example I-293 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NCc1cc(C(O)=O)c(CN2CCc3ccccc3C2)o1 |(-2.36,-3.29,;-3.69,-4.06,;-4.17,-5.53,;-5.71,-5.53,;-6.48,-6.86,;-6.18,-4.06,;-7.52,-3.29,;-4.94,-3.16,;-4.94,-1.62,;-6.27,-.85,;-6.27,.69,;-4.94,1.46,;-3.6,.69,;-2.14,1.17,;-1.74,2.66,;-.25,3.06,;.15,4.54,;1.63,4.94,;2.03,6.43,;3.52,6.83,;3.92,8.32,;5.4,8.71,;2.83,9.41,;3.23,10.89,;1.34,9.01,;.25,10.1,;.94,7.52,;-1.23,-.08,;-2.14,-1.32,;-3.6,-.85,;.31,-.08,;1.08,1.26,;1.08,-1.41,;2.62,-1.41,;3.39,-2.74,;4.85,-3.22,;4.85,-4.76,;6.18,-5.53,;6.18,-7.07,;7.52,-4.76,;3.39,-5.23,;2.99,-6.72,;1.5,-7.12,;.41,-6.03,;-1.08,-6.43,;-1.48,-7.92,;-2.96,-8.32,;-3.36,-9.8,;-2.27,-10.89,;-.79,-10.49,;-.39,-9.01,;1.1,-8.61,;2.48,-3.99,)| Show InChI InChI=1S/C42H44ClN5O5/c1-24-18-30(19-25(2)38(24)43)52-17-9-14-33-32-12-8-13-34(37-26(3)46-47(5)27(37)4)39(32)45-40(33)41(49)44-21-31-20-35(42(50)51)36(53-31)23-48-16-15-28-10-6-7-11-29(28)22-48/h6-8,10-13,18-20,45H,9,14-17,21-23H2,1-5H3,(H,44,49)(H,50,51) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429169
(US10533010, Example I-294 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCc4ccccc4OC=O)CCCn3c12 |(-2.73,5.31,;-4.06,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.55,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.64,2.86,;-7.97,3.63,;-6.64,1.32,;-5.31,.55,;-3.97,1.32,;-2.51,.85,;-2.11,-.64,;-.62,-1.04,;-.22,-2.53,;1.26,-2.93,;1.66,-4.41,;3.15,-4.81,;3.55,-6.3,;5.04,-6.7,;2.46,-7.39,;2.86,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.6,2.09,;-.06,2.09,;.71,.76,;.95,3.25,;2.44,2.85,;3.58,3.88,;5.04,3.41,;5.37,1.9,;6.83,1.43,;7.97,2.46,;7.65,3.96,;6.18,4.49,;5.86,6,;7,7.03,;8.47,6.55,;.67,4.77,;-.68,5.5,;-2.1,4.89,;-2.51,3.34,;-3.97,2.86,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-23-20-28(21-24(2)35(23)40)47-19-8-11-29-30-13-14-31(39)34(33-25(3)41-42(5)26(33)4)36(30)44-17-9-16-43(38(46)37(29)44)18-15-27-10-6-7-12-32(27)48-22-45/h6-7,10,12-14,20-22H,8-9,11,15-19H2,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429170
(US10533010, Example I-295 | US11208415, Example I-...)Show SMILES Cc1nn(CC(O)=O)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)NCCCn3c12 |(-.67,4.64,;-2,5.41,;-2.48,6.88,;-4.02,6.88,;-4.79,8.21,;-6.33,8.21,;-7.1,6.88,;-7.1,9.54,;-4.49,5.41,;-5.83,4.64,;-3.25,4.51,;-3.25,2.97,;-4.58,2.2,;-5.91,2.97,;-4.58,.66,;-3.25,-.11,;-1.91,.66,;-.45,.18,;-.05,-1.31,;1.44,-1.71,;1.84,-3.19,;3.32,-3.59,;3.72,-5.08,;5.21,-5.48,;5.61,-6.97,;7.1,-7.36,;4.52,-8.06,;4.92,-9.54,;3.03,-7.66,;1.94,-8.75,;2.63,-6.17,;.46,1.43,;2,1.43,;2.77,.09,;3.01,2.59,;2.73,4.1,;1.38,4.83,;-.04,4.23,;-.45,2.67,;-1.91,2.2,)| Show InChI InChI=1S/C30H32Cl2N4O4/c1-16-13-20(14-17(2)27(16)32)40-12-5-7-21-22-8-9-23(31)26(25-18(3)34-36(19(25)4)15-24(37)38)28(22)35-11-6-10-33-30(39)29(21)35/h8-9,13-14H,5-7,10-12,15H2,1-4H3,(H,33,39)(H,37,38) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429171
(US10533010, Example I-298 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(Cl)n4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;3.42,4.87,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;6.03,5.43,;6.35,3.92,;7.81,3.45,;5.21,2.89,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)| Show InChI InChI=1S/C36H36Cl3N5O4/c1-20-14-25(15-21(2)33(20)39)47-13-6-8-27-28-9-10-29(37)32(31-22(3)41-42(5)23(31)4)34(28)44-12-7-11-43(36(46)35(27)44)18-24-16-26(48-19-45)17-30(38)40-24/h9-10,14-17,19H,6-8,11-13,18H2,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429172
(US10533010, Example I-299 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(Br)cc(c4)C(O)=O)CCCn3c12 |(-1.52,5.29,;-2.61,6.38,;-2.61,7.92,;-4.07,8.39,;-4.47,9.88,;-4.98,7.15,;-6.52,7.15,;-4.07,5.9,;-4.47,4.41,;-5.98,4.09,;-7.07,5.18,;-6.45,2.63,;-5.42,1.48,;-3.92,1.8,;-2.67,.9,;-2.67,-.64,;-4.01,-1.41,;-4.01,-2.95,;-5.34,-3.72,;-5.34,-5.26,;-6.67,-6.03,;-6.67,-7.57,;-8.01,-8.34,;-5.34,-8.34,;-5.34,-9.88,;-4.01,-7.57,;-2.67,-8.34,;-4.01,-6.03,;-1.43,1.8,;.02,1.26,;.02,-.28,;1.34,2.05,;2.67,1.28,;4.01,2.05,;5.34,1.28,;6.67,2.05,;8.01,1.28,;6.67,3.59,;5.33,4.39,;4.01,3.59,;5.32,5.93,;3.99,6.7,;6.65,6.71,;1.54,3.58,;.48,4.69,;-1.05,4.55,;-1.9,3.27,;-3.44,3.27,)| Show InChI InChI=1S/C37H37BrCl2N4O4/c1-20-14-27(15-21(2)33(20)40)48-13-6-8-28-29-9-10-30(39)32(31-22(3)41-42(5)23(31)4)34(29)44-12-7-11-43(36(45)35(28)44)19-24-16-25(37(46)47)18-26(38)17-24/h9-10,14-18H,6-8,11-13,19H2,1-5H3,(H,46,47) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429173
(US10533010, Example I-300 | US11208415, Example I-...)Show SMILES CC(C)CCOc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(10.01,2.02,;8.55,2.49,;8.23,4,;7.4,1.46,;5.94,1.94,;5.62,3.45,;4.15,3.92,;3.01,2.89,;1.54,3.37,;.4,2.34,;-1.09,2.74,;-1.36,4.25,;-2.72,4.98,;-4.14,4.38,;-4.55,2.82,;-3.64,1.58,;-4.55,.33,;-4.15,-1.16,;-2.66,-1.56,;-2.26,-3.04,;-.77,-3.44,;-.37,-4.93,;1.11,-5.33,;1.51,-6.82,;3,-7.21,;.42,-7.91,;.82,-9.39,;-1.06,-7.51,;-2.15,-8.6,;-1.46,-6.02,;-6.01,.81,;-7.34,.04,;-8.68,.81,;-8.68,2.35,;-10.01,3.12,;-7.34,3.12,;-7.34,4.66,;-6.1,5.56,;-4.76,4.79,;-6.57,7.03,;-8.11,7.03,;-8.88,8.36,;-8.59,5.56,;-9.92,4.79,;-6.01,2.35,;-2.1,1.58,;-1.33,.24,;1.22,4.87,;2.36,5.96,;2.04,7.46,;.57,7.94,;.25,9.45,;3.83,5.43,)| Show InChI InChI=1S/C42H48Cl2N4O5/c1-25(2)13-17-52-32-20-30(21-33(22-32)53-24-49)23-47-14-9-15-48-40-35(11-12-36(43)38(40)37-28(5)45-46(7)29(37)6)34(41(48)42(47)50)10-8-16-51-31-18-26(3)39(44)27(4)19-31/h11-12,18-22,24-25H,8-10,13-17,23H2,1-7H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429174
(US10533010, Example I-301 | US11208415, Example I-...)Show SMILES CC(C)CCCOc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(10.58,3.05,;9.44,2.02,;9.76,.51,;7.97,2.49,;6.83,1.46,;5.37,1.94,;5.04,3.45,;3.58,3.92,;2.44,2.89,;.97,3.37,;-.17,2.34,;-1.66,2.74,;-1.94,4.25,;-3.29,4.98,;-4.71,4.38,;-5.12,2.82,;-4.21,1.58,;-5.12,.33,;-4.72,-1.16,;-3.23,-1.56,;-2.83,-3.04,;-1.35,-3.44,;-.95,-4.93,;.54,-5.33,;.94,-6.82,;2.43,-7.21,;-.15,-7.91,;.25,-9.39,;-1.64,-7.51,;-2.73,-8.6,;-2.04,-6.02,;-6.58,.81,;-7.92,.04,;-9.25,.81,;-9.25,2.35,;-10.58,3.12,;-7.92,3.12,;-7.92,4.66,;-6.67,5.56,;-5.34,4.79,;-7.15,7.03,;-8.69,7.03,;-9.46,8.36,;-9.16,5.56,;-10.5,4.79,;-6.58,2.35,;-2.67,1.58,;-1.9,.24,;.65,4.87,;1.78,5.96,;1.46,7.46,;-0,7.94,;-.32,9.45,;3.26,5.43,)| Show InChI InChI=1S/C43H50Cl2N4O5/c1-26(2)11-8-17-53-33-21-31(22-34(23-33)54-25-50)24-48-15-10-16-49-41-36(13-14-37(44)39(41)38-29(5)46-47(7)30(38)6)35(42(49)43(48)51)12-9-18-52-32-19-27(3)40(45)28(4)20-32/h13-14,19-23,25-26H,8-12,15-18,24H2,1-7H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429175
(US10533010, Example I-302 | US11208415, Example I-...)Show SMILES CC(C)CCOc1cc(OC=O)cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)n1 |(10.01,2.02,;8.55,2.49,;8.23,4,;7.4,1.46,;5.94,1.94,;5.62,3.45,;4.15,3.92,;3.83,5.43,;2.36,5.96,;2.04,7.46,;.57,7.94,;.25,9.45,;1.22,4.87,;1.54,3.37,;.4,2.34,;-1.09,2.74,;-1.36,4.25,;-2.72,4.98,;-4.14,4.38,;-4.55,2.82,;-3.64,1.58,;-4.55,.33,;-4.15,-1.16,;-2.66,-1.56,;-2.26,-3.04,;-.77,-3.44,;-.37,-4.93,;1.11,-5.33,;1.51,-6.82,;3,-7.21,;.42,-7.91,;.82,-9.39,;-1.06,-7.51,;-2.15,-8.6,;-1.46,-6.02,;-6.01,.81,;-7.34,.04,;-8.68,.81,;-8.68,2.35,;-10.01,3.12,;-7.34,3.12,;-7.34,4.66,;-6.1,5.56,;-4.76,4.79,;-6.57,7.03,;-8.11,7.03,;-8.88,8.36,;-8.59,5.56,;-9.92,4.79,;-6.01,2.35,;-2.1,1.58,;-1.33,.24,;3.01,2.89,)| Show InChI InChI=1S/C41H47Cl2N5O5/c1-24(2)13-17-52-35-21-31(53-23-49)20-29(44-35)22-47-14-9-15-48-39-33(11-12-34(42)37(39)36-27(5)45-46(7)28(36)6)32(40(48)41(47)50)10-8-16-51-30-18-25(3)38(43)26(4)19-30/h11-12,18-21,23-24H,8-10,13-17,22H2,1-7H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429176
(US10533010, Example I-303 | US11208415, Example I-...)Show SMILES CC(C)CCCOc1cc(OC=O)cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)n1 |(10.58,3.05,;9.44,2.02,;9.76,.51,;7.97,2.49,;6.83,1.46,;5.37,1.94,;5.04,3.45,;3.58,3.92,;3.26,5.43,;1.78,5.96,;1.46,7.46,;-0,7.94,;-.32,9.45,;.65,4.87,;.97,3.37,;-.17,2.34,;-1.66,2.74,;-1.94,4.25,;-3.29,4.98,;-4.71,4.38,;-5.12,2.82,;-4.21,1.58,;-5.12,.33,;-4.72,-1.16,;-3.23,-1.56,;-2.83,-3.04,;-1.35,-3.44,;-.95,-4.93,;.54,-5.33,;.94,-6.82,;2.43,-7.21,;-.15,-7.91,;.25,-9.39,;-1.64,-7.51,;-2.73,-8.6,;-2.04,-6.02,;-6.58,.81,;-7.92,.04,;-9.25,.81,;-9.25,2.35,;-10.58,3.12,;-7.92,3.12,;-7.92,4.66,;-6.67,5.56,;-5.34,4.79,;-7.15,7.03,;-8.69,7.03,;-9.46,8.36,;-9.16,5.56,;-10.5,4.79,;-6.58,2.35,;-2.67,1.58,;-1.9,.24,;2.44,2.89,)| Show InChI InChI=1S/C42H49Cl2N5O5/c1-25(2)11-8-18-53-36-22-32(54-24-50)21-30(45-36)23-48-15-10-16-49-40-34(13-14-35(43)38(40)37-28(5)46-47(7)29(37)6)33(41(49)42(48)51)12-9-17-52-31-19-26(3)39(44)27(4)20-31/h13-14,19-22,24-25H,8-12,15-18,23H2,1-7H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429177
(US10533010, Example I-304 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CC(O)=O)CCCn3c12 |(-1.26,5.31,;-2.6,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.09,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.18,2.86,;-6.51,3.63,;-5.18,1.32,;-3.84,.55,;-2.51,1.32,;-1.04,.85,;-.65,-.64,;.84,-1.04,;1.24,-2.53,;2.73,-2.93,;3.13,-4.41,;4.61,-4.81,;5.01,-6.3,;6.5,-6.7,;3.92,-7.39,;4.32,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.14,2.09,;1.4,2.09,;2.17,.76,;2.41,3.25,;3.9,2.85,;5.04,3.88,;6.51,3.41,;4.72,5.39,;2.14,4.77,;.78,5.5,;-.63,4.89,;-1.04,3.34,;-2.51,2.86,)| Show InChI InChI=1S/C31H34Cl2N4O4/c1-17-14-21(15-18(2)28(17)33)41-13-6-8-22-23-9-10-24(32)27(26-19(3)34-35(5)20(26)4)29(23)37-12-7-11-36(16-25(38)39)31(40)30(22)37/h9-10,14-15H,6-8,11-13,16H2,1-5H3,(H,38,39) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429178
(US10533010, Example I-305 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CC(=O)N[C@@H](Cc4ccccc4)C(O)=O)CCCn3c12 |r,wU:36.37,(-4.44,5.31,;-5.78,6.08,;-6.25,7.54,;-7.79,7.54,;-8.56,8.88,;-8.27,6.08,;-9.6,5.31,;-7.02,5.17,;-7.02,3.63,;-8.36,2.86,;-9.69,3.63,;-8.36,1.32,;-7.02,.55,;-5.69,1.32,;-4.23,.85,;-3.83,-.64,;-2.34,-1.04,;-1.94,-2.53,;-.45,-2.93,;-.05,-4.41,;1.43,-4.81,;1.83,-6.3,;3.32,-6.7,;.74,-7.39,;1.14,-8.88,;-.74,-6.99,;-1.83,-8.08,;-1.14,-5.5,;-3.32,2.09,;-1.78,2.09,;-1.01,.76,;-.77,3.25,;.72,2.85,;1.86,3.88,;1.54,5.39,;3.33,3.41,;3.65,1.9,;5.11,1.43,;6.26,2.46,;5.94,3.96,;7.08,4.99,;8.55,4.52,;8.87,3.01,;7.72,1.98,;2.5,.87,;1.04,1.35,;2.82,-.64,;-1.04,4.77,;-2.4,5.5,;-3.82,4.89,;-4.23,3.34,;-5.69,2.86,)| Show InChI InChI=1S/C40H43Cl2N5O5/c1-23-19-28(20-24(2)36(23)42)52-18-9-13-29-30-14-15-31(41)35(34-25(3)44-45(5)26(34)4)37(30)47-17-10-16-46(39(49)38(29)47)22-33(48)43-32(40(50)51)21-27-11-7-6-8-12-27/h6-8,11-12,14-15,19-20,32H,9-10,13,16-18,21-22H2,1-5H3,(H,43,48)(H,50,51)/t32-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429179
(US10533010, Example I-306 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(OC=O)cc(c4)-c4ccc(O)cc4)CCCn3c12 |(-4.76,4.79,;-6.1,5.56,;-6.57,7.03,;-8.11,7.03,;-8.88,8.36,;-8.59,5.56,;-9.92,4.79,;-7.34,4.66,;-7.34,3.12,;-8.68,2.35,;-10.01,3.12,;-8.68,.81,;-7.34,.04,;-6.01,.81,;-4.55,.33,;-4.15,-1.16,;-2.66,-1.56,;-2.26,-3.04,;-.77,-3.44,;-.37,-4.93,;1.11,-5.33,;1.51,-6.82,;3,-7.21,;.42,-7.91,;.82,-9.39,;-1.06,-7.51,;-2.15,-8.6,;-1.46,-6.02,;-3.64,1.58,;-2.1,1.58,;-1.33,.24,;-1.09,2.74,;.4,2.34,;1.54,3.37,;1.22,4.87,;2.36,5.96,;2.04,7.46,;.57,7.94,;.25,9.45,;3.83,5.43,;4.15,3.92,;3.01,2.89,;5.62,3.45,;5.94,1.94,;7.4,1.46,;8.55,2.49,;10.01,2.02,;8.23,4,;6.76,4.48,;-1.36,4.25,;-2.72,4.98,;-4.14,4.38,;-4.55,2.82,;-6.01,2.35,)| Show InChI InChI=1S/C43H42Cl2N4O5/c1-25-18-33(19-26(2)40(25)45)53-17-6-8-35-36-13-14-37(44)39(38-27(3)46-47(5)28(38)4)41(36)49-16-7-15-48(43(52)42(35)49)23-29-20-31(22-34(21-29)54-24-50)30-9-11-32(51)12-10-30/h9-14,18-22,24,51H,6-8,15-17,23H2,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429180
(US10533010, Example I-307 | US11208415, Example I-...)Show SMILES CC(C)CC(=O)NCCc1cc(CN2CCCn3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nn(C)c5C)c34)C2=O)cc(OC=O)c1 |(8.29,-.52,;9.44,.51,;10.9,.04,;9.12,2.02,;7.65,2.49,;7.33,4,;6.51,1.46,;5.04,1.94,;4.72,3.45,;3.26,3.92,;2.12,2.89,;.65,3.37,;-.49,2.34,;-1.98,2.74,;-2.26,4.25,;-3.61,4.98,;-5.03,4.38,;-5.44,2.82,;-4.53,1.58,;-5.44,.33,;-5.04,-1.16,;-3.55,-1.56,;-3.15,-3.04,;-1.67,-3.44,;-1.27,-4.93,;.22,-5.33,;.62,-6.82,;2.11,-7.21,;-.47,-7.91,;-.07,-9.39,;-1.96,-7.51,;-3.05,-8.6,;-2.36,-6.02,;-6.9,.81,;-8.24,.04,;-9.57,.81,;-9.57,2.35,;-10.9,3.12,;-8.24,3.12,;-8.24,4.66,;-6.99,5.56,;-5.66,4.79,;-7.47,7.03,;-9.01,7.03,;-9.78,8.36,;-9.48,5.56,;-10.82,4.79,;-6.9,2.35,;-2.99,1.58,;-2.22,.24,;.33,4.87,;1.46,5.96,;1.14,7.46,;-.32,7.94,;-.64,9.45,;2.94,5.43,)| Show InChI InChI=1S/C44H51Cl2N5O5/c1-26(2)18-38(53)47-14-13-31-21-32(23-34(22-31)56-25-52)24-50-15-9-16-51-42-36(11-12-37(45)40(42)39-29(5)48-49(7)30(39)6)35(43(51)44(50)54)10-8-17-55-33-19-27(3)41(46)28(4)20-33/h11-12,19-23,25-26H,8-10,13-18,24H2,1-7H3,(H,47,53) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429181
(US10533010, Example I-309 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(=O)NS(=O)(=O)c4ccc(OCc5ccccc5)cc4)CCCn3c12 |(-6.14,4.12,;-7.48,4.89,;-7.95,6.35,;-9.49,6.35,;-10.26,7.69,;-9.97,4.89,;-11.3,4.12,;-8.72,3.98,;-8.72,2.44,;-10.06,1.67,;-11.39,2.44,;-10.06,.13,;-8.72,-.64,;-7.39,.13,;-5.93,-.34,;-5.53,-1.83,;-4.04,-2.23,;-3.64,-3.72,;-2.15,-4.11,;-1.75,-5.6,;-.27,-6,;.13,-7.49,;1.62,-7.89,;-.96,-8.58,;-.56,-10.07,;-2.45,-8.18,;-3.53,-9.27,;-2.84,-6.69,;-5.02,.9,;-3.48,.9,;-2.71,-.43,;-2.47,2.06,;-.93,2.06,;-.16,3.4,;1.38,3.4,;2.15,4.73,;1.38,6.06,;-.16,6.06,;-.93,4.73,;2.15,7.4,;1.38,8.73,;3.69,7.4,;4.46,8.73,;3.13,9.5,;5.23,10.07,;6,8.73,;6.77,7.4,;8.31,7.4,;9.08,8.73,;10.62,8.73,;11.39,7.4,;10.62,6.06,;9.08,6.06,;8.31,4.73,;9.08,3.4,;10.62,3.4,;11.39,4.73,;8.31,10.07,;6.77,10.07,;-2.74,3.58,;-4.1,4.31,;-5.52,3.7,;-5.93,2.15,;-7.39,1.67,)| Show InChI InChI=1S/C50H49Cl2N5O6S/c1-31-27-39(28-32(2)46(31)52)62-26-9-13-41-42-22-23-43(51)45(44-33(3)53-55(5)34(44)4)47(42)57-25-10-24-56(50(59)48(41)57)29-35-14-16-37(17-15-35)49(58)54-64(60,61)40-20-18-38(19-21-40)63-30-36-11-7-6-8-12-36/h6-8,11-12,14-23,27-28H,9-10,13,24-26,29-30H2,1-5H3,(H,54,58) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429182
(US10533010, Example I-310 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cc4)C(=O)NS(=O)(=O)c4ccc(OCc5cccnc5)cc4)CCCn3c12 |(-6.14,4.12,;-7.48,4.89,;-7.95,6.35,;-9.49,6.35,;-10.26,7.69,;-9.97,4.89,;-11.3,4.12,;-8.72,3.98,;-8.72,2.44,;-10.06,1.67,;-11.39,2.44,;-10.06,.13,;-8.72,-.64,;-7.39,.13,;-5.93,-.34,;-5.53,-1.83,;-4.04,-2.23,;-3.64,-3.72,;-2.15,-4.11,;-1.75,-5.6,;-.27,-6,;.13,-7.49,;1.62,-7.89,;-.96,-8.58,;-.56,-10.07,;-2.45,-8.18,;-3.53,-9.27,;-2.84,-6.69,;-5.02,.9,;-3.48,.9,;-2.71,-.43,;-2.47,2.06,;-.93,2.06,;-.16,3.4,;1.38,3.4,;2.15,4.73,;1.38,6.06,;-.16,6.06,;-.93,4.73,;2.15,7.4,;1.38,8.73,;3.69,7.4,;4.46,8.73,;3.13,9.5,;5.23,10.07,;6,8.73,;6.77,7.4,;8.31,7.4,;9.08,8.73,;10.62,8.73,;11.39,7.4,;10.62,6.06,;11.39,4.73,;10.62,3.4,;9.08,3.4,;8.31,4.73,;9.08,6.06,;8.31,10.07,;6.77,10.07,;-2.74,3.58,;-4.1,4.31,;-5.52,3.7,;-5.93,2.15,;-7.39,1.67,)| Show InChI InChI=1S/C49H48Cl2N6O6S/c1-30-25-38(26-31(2)45(30)51)62-24-7-10-40-41-19-20-42(50)44(43-32(3)53-55(5)33(43)4)46(41)57-23-8-22-56(49(59)47(40)57)28-34-11-13-36(14-12-34)48(58)54-64(60,61)39-17-15-37(16-18-39)63-29-35-9-6-21-52-27-35/h6,9,11-21,25-27H,7-8,10,22-24,28-29H2,1-5H3,(H,54,58) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429183
(US10533010, Example I-311 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4cc(Br)cc(OC=O)c4)CCCn3c12 |(-2.57,4.79,;-3.9,5.56,;-4.38,7.03,;-5.92,7.03,;-6.69,8.36,;-6.39,5.56,;-7.73,4.79,;-5.15,4.66,;-5.15,3.12,;-6.48,2.35,;-7.81,3.12,;-6.48,.81,;-5.15,.04,;-3.81,.81,;-2.35,.33,;-1.95,-1.16,;-.46,-1.56,;-.06,-3.04,;1.42,-3.44,;1.82,-4.93,;3.31,-5.33,;3.71,-6.82,;5.2,-7.21,;2.62,-7.91,;3.02,-9.39,;1.13,-7.51,;.04,-8.6,;.73,-6.02,;-1.44,1.58,;.1,1.58,;.87,.24,;1.11,2.74,;2.6,2.34,;3.74,3.37,;5.21,2.89,;6.35,3.92,;7.81,3.45,;6.03,5.43,;4.55,5.96,;4.23,7.46,;5.38,8.49,;6.84,8.02,;3.42,4.87,;.83,4.25,;-.52,4.98,;-1.94,4.38,;-2.35,2.82,;-3.81,2.35,)| Show InChI InChI=1S/C37H37BrCl2N4O4/c1-21-14-27(15-22(2)34(21)40)47-13-6-8-29-30-9-10-31(39)33(32-23(3)41-42(5)24(32)4)35(30)44-12-7-11-43(37(46)36(29)44)19-25-16-26(38)18-28(17-25)48-20-45/h9-10,14-18,20H,6-8,11-13,19H2,1-5H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429184
(US10533010, Example I-315 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O |r,wD:33.36,36.43,(-2.6,5.31,;-3.94,6.08,;-4.41,7.54,;-5.95,7.54,;-6.72,8.88,;-6.43,6.08,;-7.76,5.31,;-5.18,5.17,;-5.18,3.63,;-6.52,2.86,;-6.52,1.32,;-5.18,.55,;-3.85,1.32,;-2.38,.85,;-1.99,-.64,;-.5,-1.04,;-.1,-2.53,;1.39,-2.93,;1.79,-4.41,;3.27,-4.81,;3.67,-6.3,;5.16,-6.7,;2.58,-7.39,;2.98,-8.88,;1.1,-6.99,;.01,-8.08,;.7,-5.5,;-1.48,2.09,;-2.38,3.34,;-3.85,2.86,;.06,2.09,;.83,.76,;.83,3.43,;2.37,3.43,;3.14,2.09,;4.68,2.09,;5.51,3.43,;4.68,4.76,;3.14,4.76,;7.05,3.43,;7.82,2.09,;7.82,4.76,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429185
(US10533010, Example I-316 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@H]1CCCC[C@H]1OC=O |r,wD:33.36,38.43,(-1.45,5.31,;-2.78,6.08,;-3.26,7.54,;-4.8,7.54,;-5.57,8.88,;-5.27,6.08,;-6.61,5.31,;-4.03,5.17,;-4.03,3.63,;-5.36,2.86,;-5.36,1.32,;-4.03,.55,;-2.69,1.32,;-1.23,.85,;-.83,-.64,;.66,-1.04,;1.06,-2.53,;2.54,-2.93,;2.94,-4.41,;4.43,-4.81,;4.83,-6.3,;6.32,-6.7,;3.74,-7.39,;4.14,-8.88,;2.25,-6.99,;1.16,-8.08,;1.85,-5.5,;-.32,2.09,;-1.23,3.34,;-2.69,2.86,;1.22,2.09,;1.99,.76,;1.99,3.43,;3.53,3.43,;4.3,2.09,;5.84,2.09,;6.61,3.43,;5.84,4.76,;4.27,4.81,;3.5,6.14,;4.27,7.48,;5.81,7.47,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429186
(US10533010, Example I-317 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)N[C@@H]1CCC[C@H](C1)C(O)=O |r,wU:37.43,wD:33.36,(-2.22,5.31,;-3.55,6.08,;-4.03,7.54,;-5.57,7.54,;-6.34,8.88,;-6.04,6.08,;-7.38,5.31,;-4.8,5.17,;-4.8,3.63,;-6.13,2.86,;-6.13,1.32,;-4.8,.55,;-3.46,1.32,;-2,.85,;-1.6,-.64,;-.11,-1.04,;.29,-2.53,;1.77,-2.93,;2.17,-4.41,;3.66,-4.81,;4.06,-6.3,;5.55,-6.7,;2.97,-7.39,;3.37,-8.88,;1.48,-6.99,;.39,-8.08,;1.08,-5.5,;-1.09,2.09,;-2,3.34,;-3.46,2.86,;.45,2.09,;1.22,.76,;1.22,3.43,;2.76,3.43,;3.53,4.76,;5.07,4.76,;5.84,3.43,;5.09,2.04,;3.53,2.09,;5.86,.71,;5.09,-.62,;7.4,.71,)| | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429187
(US10533010, Example I-318 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NC1CCN(CC1)C(=O)CC(O)=O |(-3.76,5.31,;-5.09,6.08,;-5.57,7.54,;-7.11,7.54,;-7.88,8.88,;-7.58,6.08,;-8.92,5.31,;-6.34,5.17,;-6.34,3.63,;-7.67,2.86,;-7.67,1.32,;-6.34,.55,;-5,1.32,;-3.54,.85,;-3.14,-.64,;-1.65,-1.04,;-1.25,-2.53,;.23,-2.93,;.63,-4.41,;2.12,-4.81,;2.52,-6.3,;4.01,-6.7,;1.43,-7.39,;1.83,-8.88,;-.06,-6.99,;-1.15,-8.08,;-.46,-5.5,;-2.63,2.09,;-3.54,3.34,;-5,2.86,;-1.09,2.09,;-.32,.76,;-.32,3.43,;1.22,3.43,;1.99,2.09,;3.53,2.09,;4.3,3.43,;3.53,4.76,;1.99,4.76,;5.84,3.43,;6.61,4.76,;6.61,2.09,;8.15,2.09,;8.92,.76,;8.92,3.43,)| Show InChI InChI=1S/C34H40ClN5O5/c1-19-16-24(17-20(2)31(19)35)45-15-7-10-26-25-8-6-9-27(30-21(3)38-39(5)22(30)4)32(25)37-33(26)34(44)36-23-11-13-40(14-12-23)28(41)18-29(42)43/h6,8-9,16-17,23,37H,7,10-15,18H2,1-5H3,(H,36,44)(H,42,43) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2RX9G8J |
More data for this
Ligand-Target Pair | |
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