Found 416 hits Enz. Inhib. hit(s) with all data for entry = 50006585 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)) | BDBM429007
(US10533010, Example I-100 | 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(ccc1C)C(O)=O |(-2.53,5.31,;-3.87,6.08,;-4.34,7.54,;-5.88,7.54,;-6.65,8.88,;-6.36,6.08,;-7.69,5.31,;-5.11,5.17,;-5.11,3.63,;-6.45,2.86,;-7.78,3.63,;-6.45,1.32,;-5.11,.55,;-3.78,1.32,;-2.32,.85,;-1.92,-.64,;-.43,-1.04,;-.03,-2.53,;1.46,-2.93,;1.85,-4.41,;3.34,-4.81,;3.74,-6.3,;5.23,-6.7,;2.65,-7.39,;3.05,-8.88,;1.16,-6.99,;.08,-8.08,;.77,-5.5,;-1.41,2.09,;.13,2.09,;.9,.76,;1.14,3.25,;.87,4.77,;-.49,5.5,;-1.91,4.89,;-2.32,3.34,;-3.78,2.86,;2.63,2.85,;3.72,3.94,;5.21,3.54,;5.6,2.06,;4.51,.97,;3.03,1.37,;1.94,.28,;6.29,4.63,;7.78,4.23,;5.9,6.12,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-10-11-25(37(45)46)19-30(20)42-14-8-15-43-34-28(12-13-29(38)32(34)31-23(4)40-41(6)24(31)5)27(35(43)36(42)44)9-7-16-47-26-17-21(2)33(39)22(3)18-26/h10-13,17-19H,7-9,14-16H2,1-6H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429008
(US10533010, Example I-102 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cn4)C(O)=O)CCCn3c12 |(-2.88,5.31,;-4.21,6.08,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-5.46,5.17,;-5.46,3.63,;-6.79,2.86,;-8.13,3.63,;-6.79,1.32,;-5.46,.55,;-4.13,1.32,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-1.76,2.09,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.55,6.12,;4.06,6.52,;2.97,5.43,;6.64,7.21,;8.13,6.81,;6.24,8.7,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-4.13,2.86,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-20-16-26(17-21(2)32(20)38)47-15-6-8-27-28-11-12-29(37)31(30-22(3)40-41(5)23(30)4)33(28)43-14-7-13-42(35(44)34(27)43)19-25-10-9-24(18-39-25)36(45)46/h9-12,16-18H,6-8,13-15,19H2,1-5H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244173
(CHEMBL4064491 | US10533010, Example I-103 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCCn3c12 |(9.86,-24.76,;8.39,-24.29,;7.91,-22.83,;6.37,-22.83,;5.46,-21.59,;5.9,-24.3,;4.44,-24.78,;7.15,-25.2,;7.16,-26.75,;5.83,-27.52,;4.5,-26.75,;5.83,-29.06,;7.16,-29.83,;8.5,-29.06,;9.97,-29.54,;10.45,-31,;11.95,-31.32,;12.43,-32.79,;13.94,-33.11,;14.41,-34.57,;15.91,-34.89,;16.39,-36.34,;17.9,-36.66,;15.36,-37.5,;15.84,-38.96,;13.85,-37.18,;12.82,-38.32,;13.38,-35.71,;10.88,-28.28,;12.44,-28.35,;13.05,-29.76,;13.46,-27.17,;14.94,-27.57,;16.03,-26.48,;15.79,-24.96,;17.16,-24.26,;18.25,-25.35,;17.55,-26.73,;19.77,-25.12,;20.33,-23.68,;20.74,-26.31,;13.17,-25.64,;11.8,-24.91,;10.38,-25.53,;9.97,-27.03,;8.49,-27.51,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-19-16-24(17-20(2)31(19)37)45-15-6-8-25-26-10-11-27(36)30(29-21(3)38-39(5)22(29)4)32(26)41-14-7-13-40(34(42)33(25)41)18-23-9-12-28(46-23)35(43)44/h9-12,16-17H,6-8,13-15,18H2,1-5H3,(H,43,44) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429010
(US10533010, Example I-104 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccnc2c(cccc12)C(O)=O |(-3.08,5.31,;-4.41,6.08,;-4.89,7.54,;-6.43,7.54,;-7.2,8.88,;-6.9,6.08,;-8.24,5.31,;-5.66,5.17,;-5.66,3.63,;-6.99,2.86,;-8.33,3.63,;-6.99,1.32,;-5.66,.55,;-4.32,1.32,;-2.86,.85,;-2.46,-.64,;-.97,-1.04,;-.58,-2.53,;.91,-2.93,;1.31,-4.41,;2.8,-4.81,;3.2,-6.3,;4.68,-6.7,;2.11,-7.39,;2.51,-8.88,;.62,-6.99,;-.47,-8.08,;.22,-5.5,;-1.96,2.09,;-.42,2.09,;.35,.76,;.6,3.25,;.32,4.77,;-1.03,5.5,;-2.45,4.89,;-2.86,3.34,;-4.32,2.86,;2.08,2.85,;2.48,1.37,;3.97,.97,;5.06,2.06,;4.66,3.54,;5.75,4.63,;5.35,6.12,;3.86,6.52,;2.77,5.43,;3.17,3.94,;7.24,4.23,;7.64,2.75,;8.33,5.32,)| Show InChI InChI=1S/C39H37Cl2N5O4/c1-21-19-25(20-22(2)34(21)41)50-18-7-11-26-27-12-13-30(40)33(32-23(3)43-44(5)24(32)4)36(27)46-17-8-16-45(38(47)37(26)46)31-14-15-42-35-28(31)9-6-10-29(35)39(48)49/h6,9-10,12-15,19-20H,7-8,11,16-18H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429011
(US10533010, Example I-105 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccnc2c(cccc12)C(O)=O |(-3.12,5.31,;-4.46,6.08,;-4.93,7.54,;-6.47,7.54,;-7.24,8.88,;-6.95,6.08,;-8.28,5.31,;-5.7,5.17,;-5.7,3.63,;-7.04,2.86,;-7.04,1.32,;-5.7,.55,;-4.37,1.32,;-2.9,.85,;-2.51,-.64,;-1.02,-1.04,;-.62,-2.53,;.87,-2.93,;1.27,-4.41,;2.75,-4.81,;3.15,-6.3,;4.64,-6.7,;2.06,-7.39,;2.46,-8.88,;.58,-6.99,;-.51,-8.08,;.18,-5.5,;-2,2.09,;-.46,2.09,;.31,.76,;.55,3.25,;.28,4.77,;-1.08,5.5,;-2.49,4.89,;-2.9,3.34,;-4.37,2.86,;2.04,2.85,;2.44,1.37,;3.93,.97,;5.02,2.06,;4.62,3.54,;5.71,4.63,;5.31,6.12,;3.82,6.52,;2.73,5.43,;3.13,3.94,;7.19,4.23,;7.59,2.75,;8.28,5.32,)| Show InChI InChI=1S/C39H38ClN5O4/c1-22-20-26(21-23(2)34(22)40)49-19-8-14-28-27-10-6-12-30(33-24(3)42-43(5)25(33)4)36(27)45-18-9-17-44(38(46)37(28)45)32-15-16-41-35-29(32)11-7-13-31(35)39(47)48/h6-7,10-13,15-16,20-21H,8-9,14,17-19H2,1-5H3,(H,47,48) | 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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429012
(US10533010, Example I-106 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2n(C)ccc12 |(-2.71,5.31,;-4.04,6.08,;-4.52,7.54,;-6.06,7.54,;-6.83,8.88,;-6.54,6.08,;-7.87,5.31,;-5.29,5.17,;-5.29,3.63,;-6.62,2.86,;-7.96,3.63,;-6.62,1.32,;-5.29,.55,;-3.96,1.32,;-2.49,.85,;-2.09,-.64,;-.61,-1.04,;-.21,-2.53,;1.28,-2.93,;1.68,-4.41,;3.17,-4.81,;3.56,-6.3,;5.05,-6.7,;2.48,-7.39,;2.87,-8.88,;.99,-6.99,;-.1,-8.08,;.59,-5.5,;-1.59,2.09,;-.05,2.09,;.72,.76,;.96,3.25,;.69,4.77,;-.67,5.5,;-2.08,4.89,;-2.49,3.34,;-3.96,2.86,;2.45,2.85,;3.6,3.88,;5.06,3.41,;5.38,1.9,;6.87,1.5,;7.27,.02,;7.96,2.59,;4.24,.87,;4.24,-.67,;5.57,-1.44,;2.77,-1.14,;1.87,.1,;2.77,1.35,)| Show InChI InChI=1S/C39H39Cl2N5O4/c1-21-19-25(20-22(2)34(21)41)50-18-7-9-26-27-10-12-30(40)33(32-23(3)42-44(6)24(32)4)36(27)46-16-8-15-45(38(47)37(26)46)31-13-11-29(39(48)49)35-28(31)14-17-43(35)5/h10-14,17,19-20H,7-9,15-16,18H2,1-6H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429013
(US10533010, Example I-107 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2ncccc12 |(-2.73,5.31,;-4.07,6.08,;-4.54,7.54,;-6.08,7.54,;-6.85,8.88,;-6.56,6.08,;-7.89,5.31,;-5.31,5.17,;-5.31,3.63,;-6.65,2.86,;-7.98,3.63,;-6.65,1.32,;-5.31,.55,;-3.98,1.32,;-2.52,.85,;-2.12,-.64,;-.63,-1.04,;-.23,-2.53,;1.26,-2.93,;1.66,-4.41,;3.14,-4.81,;3.54,-6.3,;5.03,-6.7,;2.45,-7.39,;2.85,-8.88,;.97,-6.99,;-.12,-8.08,;.57,-5.5,;-1.61,2.09,;-.07,2.09,;.7,.76,;.94,3.25,;.67,4.77,;-.69,5.5,;-2.11,4.89,;-2.52,3.34,;-3.98,2.86,;2.43,2.85,;2.83,1.37,;4.32,.97,;5.4,2.06,;6.89,1.66,;7.29,.17,;7.98,2.75,;5.01,3.54,;6.09,4.63,;5.7,6.12,;4.21,6.52,;3.12,5.43,;3.52,3.94,)| Show InChI InChI=1S/C39H37Cl2N5O4/c1-21-19-25(20-22(2)34(21)41)50-18-7-10-26-27-11-13-30(40)33(32-23(3)43-44(5)24(32)4)36(27)46-17-8-16-45(38(47)37(26)46)31-14-12-29(39(48)49)35-28(31)9-6-15-42-35/h6,9,11-15,19-20H,7-8,10,16-18H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50244145
(CHEMBL4101866 | US10533010, Example I-108 | US1120...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1ccc(C(O)=O)c2cccnc12 |(26.17,-23.93,;24.7,-23.46,;24.22,-22,;22.68,-22,;21.77,-20.76,;22.21,-23.47,;20.75,-23.95,;23.46,-24.37,;23.47,-25.91,;22.14,-26.69,;20.81,-25.92,;22.14,-28.23,;23.47,-29,;24.81,-28.23,;26.28,-28.71,;26.76,-30.17,;28.26,-30.49,;28.74,-31.96,;30.25,-32.28,;30.72,-33.74,;32.22,-34.05,;32.7,-35.51,;34.21,-35.83,;31.67,-36.67,;32.15,-38.13,;30.16,-36.35,;29.13,-37.49,;29.69,-34.88,;27.19,-27.45,;28.75,-27.51,;29.36,-28.93,;29.77,-26.34,;29.48,-24.81,;28.11,-24.07,;26.69,-24.69,;26.28,-26.2,;24.8,-26.68,;31.25,-26.74,;32.33,-25.65,;33.82,-26.04,;34.22,-27.54,;35.71,-27.94,;36.8,-26.85,;36.1,-29.43,;33.12,-28.62,;33.52,-30.1,;32.45,-31.18,;30.96,-30.79,;30.56,-29.31,;31.64,-28.22,)| Show InChI InChI=1S/C39H37Cl2N5O4/c1-21-19-25(20-22(2)34(21)41)50-18-7-10-27-28-11-13-30(40)33(32-23(3)43-44(5)24(32)4)36(28)46-17-8-16-45(38(47)37(27)46)31-14-12-29(39(48)49)26-9-6-15-42-35(26)31/h6,9,11-15,19-20H,7-8,10,16-18H2,1-5H3,(H,48,49) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429015
(US10533010, Example I-109 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1 |r,wU:1.0,(1.89,6.24,;1.12,4.91,;-.41,4.75,;-1.04,3.34,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;1.4,2.25,;2.49,1.16,;2.02,3.66,)| Show InChI InChI=1S/C29H32Cl2N4O2/c1-15-12-20(13-16(2)26(15)31)37-11-7-8-21-22-9-10-23(30)25(24-18(4)33-34(6)19(24)5)27(22)35-14-17(3)32-29(36)28(21)35/h9-10,12-13,17H,7-8,11,14H2,1-6H3,(H,32,36)/t17-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429016
(US10533010, Example I-111 | US11208415, Example I-...)Show SMILES CC1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-.81,6.23,;-.41,4.75,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.49,1.16,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)| Show InChI InChI=1S/C29H32Cl2N4O2/c1-15-12-20(13-16(2)26(15)31)37-11-7-8-21-22-9-10-23(30)25(24-18(4)33-34(6)19(24)5)27(22)35-17(3)14-32-29(36)28(21)35/h9-10,12-13,17H,7-8,11,14H2,1-6H3,(H,32,36) | 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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429017
(US10533010, Example I-113 | US11208415, Example I-...)Show SMILES C[C@@H]1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wD:1.0,(-.81,6.23,;-.41,4.75,;1.12,4.91,;2.02,3.66,;1.4,2.25,;2.49,1.16,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)| Show InChI InChI=1S/C29H32Cl2N4O2/c1-15-12-20(13-16(2)26(15)31)37-11-7-8-21-22-9-10-23(30)25(24-18(4)33-34(6)19(24)5)27(22)35-17(3)14-32-29(36)28(21)35/h9-10,12-13,17H,7-8,11,14H2,1-6H3,(H,32,36)/t17-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429018
(US10533010, Example I-114 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1 |(3.48,5.54,;2.14,4.77,;.79,5.5,;-.63,4.89,;-1.04,3.34,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;1.4,2.09,;2.17,.76,;2.42,3.25,)| Show InChI InChI=1S/C30H34Cl2N4O2/c1-16-14-21(15-17(2)27(16)32)38-13-7-8-22-23-9-10-24(31)26(25-19(4)34-35(6)20(25)5)28(23)36-12-11-18(3)33-30(37)29(22)36/h9-10,14-15,18H,7-8,11-13H2,1-6H3,(H,33,37) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429019
(US10533010, Example I-115 | US11208415, Example I-...)Show SMILES CC1CNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(.79,7.04,;.79,5.5,;2.14,4.77,;2.42,3.25,;1.4,2.09,;2.17,.76,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,;-.63,4.89,)| Show InChI InChI=1S/C30H34Cl2N4O2/c1-16-14-33-30(37)29-22(8-7-11-38-21-12-17(2)27(32)18(3)13-21)23-9-10-24(31)26(28(23)36(29)15-16)25-19(4)34-35(6)20(25)5/h9-10,12-13,16H,7-8,11,14-15H2,1-6H3,(H,33,37) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429020
(US10533010, Example I-116 | US11208415, Example I-...)Show SMILES CC1CCNC(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-1.03,6.38,;-.63,4.89,;.79,5.5,;2.14,4.77,;2.42,3.25,;1.4,2.09,;2.17,.76,;-.13,2.09,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-2.5,1.32,;-3.84,.55,;-5.17,1.32,;-5.17,2.86,;-6.5,3.63,;-3.84,3.63,;-3.84,5.17,;-2.59,6.08,;-1.26,5.31,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-2.5,2.86,;-1.04,3.34,)| Show InChI InChI=1S/C30H34Cl2N4O2/c1-16-14-21(15-17(2)27(16)32)38-13-7-8-22-23-9-10-24(31)26(25-19(4)34-35(6)20(25)5)28(23)36-18(3)11-12-33-30(37)29(22)36/h9-10,14-15,18H,7-8,11-13H2,1-6H3,(H,33,37) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429021
(US10533010, Example I-117 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)NCCn3c12 |(-1.26,5.31,;-2.59,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.17,2.86,;-6.5,3.63,;-5.17,1.32,;-3.84,.55,;-2.5,1.32,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.13,2.09,;1.4,2.25,;2.49,1.16,;2.02,3.66,;1.12,4.91,;-.41,4.75,;-1.04,3.34,;-2.5,2.86,)| Show InChI InChI=1S/C28H30Cl2N4O2/c1-15-13-19(14-16(2)25(15)30)36-12-6-7-20-21-8-9-22(29)24(23-17(3)32-33(5)18(23)4)26(21)34-11-10-31-28(35)27(20)34/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,31,35) | 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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429022
(US10533010, Example I-118 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)NCCCn3c12 |(-1.26,5.31,;-2.59,6.08,;-3.07,7.54,;-4.61,7.54,;-5.38,8.88,;-5.08,6.08,;-6.42,5.31,;-3.84,5.17,;-3.84,3.63,;-5.17,2.86,;-6.5,3.63,;-5.17,1.32,;-3.84,.55,;-2.5,1.32,;-1.04,.85,;-.64,-.64,;.85,-1.04,;1.25,-2.53,;2.73,-2.93,;3.13,-4.41,;4.62,-4.81,;5.02,-6.3,;6.5,-6.7,;3.93,-7.39,;4.33,-8.88,;2.44,-6.99,;1.35,-8.08,;2.04,-5.5,;-.13,2.09,;1.4,2.09,;2.17,.76,;2.42,3.25,;2.14,4.77,;.79,5.5,;-.63,4.89,;-1.04,3.34,;-2.5,2.86,)| Show InChI InChI=1S/C29H32Cl2N4O2/c1-16-14-20(15-17(2)26(16)31)37-13-6-8-21-22-9-10-23(30)25(24-18(3)33-34(5)19(24)4)27(22)35-12-7-11-32-29(36)28(21)35/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,32,36) | 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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429023
(US10533010, Example I-120 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429024
(US10533010, Example I-121 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wU:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46)/t22-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429025
(US10533010, Example I-122 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-19-14-26(15-20(2)32(19)38)47-13-7-8-27-28-11-12-29(37)31(30-22(4)40-41(6)23(30)5)33(28)43-17-21(3)42(35(44)34(27)43)18-25-10-9-24(16-39-25)36(45)46/h9-12,14-16,21H,7-8,13,17-18H2,1-6H3,(H,45,46)/t21-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429026
(US10533010, Example I-123 | US11208415, Example I-...)Show SMILES C[C@@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wU:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-16-20(3)40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429027
(US10533010, Example I-124 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |(1.85,5.54,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;2.97,5.43,;4.06,6.52,;5.59,6.16,;5.95,4.63,;4.86,3.54,;6.68,7.25,;6.28,8.74,;8.17,6.85,)| Show InChI InChI=1S/C37H39Cl2N5O4/c1-20-16-27(17-21(2)33(20)39)48-15-7-8-28-29-11-12-30(38)32(31-23(4)41-42(6)24(31)5)34(29)43-14-13-22(3)44(36(45)35(28)43)19-26-10-9-25(18-40-26)37(46)47/h9-12,16-18,22H,7-8,13-15,19H2,1-6H3,(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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429028
(US10533010, Example I-125 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(OC=O)c1 |(2.94,5.03,;1.61,4.26,;.25,4.99,;-1.16,4.38,;-1.57,2.83,;-.67,1.58,;-1.57,.34,;-1.17,-1.15,;.31,-1.55,;.71,-3.04,;2.2,-3.43,;2.6,-4.92,;4.09,-5.32,;4.48,-6.81,;5.97,-7.21,;3.4,-7.9,;3.79,-9.38,;1.91,-7.5,;.82,-8.59,;1.51,-6.01,;-3.04,.81,;-4.37,.04,;-5.7,.81,;-5.7,2.35,;-7.04,3.12,;-4.37,3.12,;-4.37,4.66,;-3.12,5.57,;-1.79,4.8,;-3.6,7.03,;-5.14,7.03,;-5.91,8.37,;-5.62,5.57,;-6.95,4.8,;-3.04,2.35,;.87,1.58,;1.64,.25,;1.88,2.74,;3.37,2.35,;4.46,3.43,;5.95,3.04,;7.04,4.12,;6.64,5.61,;5.14,6.06,;4.74,7.55,;5.83,8.64,;7.32,8.24,;4.06,4.92,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-22-17-29(18-23(2)35(22)40)47-16-8-11-30-31-12-13-32(39)34(33-25(4)41-42(6)26(33)5)36(31)43-15-14-24(3)44(38(46)37(30)43)20-27-9-7-10-28(19-27)48-21-45/h7,9-10,12-13,17-19,21,24H,8,11,14-16,20H2,1-6H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429029
(US10533010, Example I-126 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |(1.94,5.54,;.6,4.77,;-.75,5.5,;-2.17,4.89,;-2.58,3.34,;-1.67,2.09,;-2.58,.85,;-2.18,-.64,;-.69,-1.04,;-.3,-2.53,;1.19,-2.93,;1.59,-4.41,;3.08,-4.81,;3.48,-6.3,;4.96,-6.7,;2.39,-7.39,;2.79,-8.88,;.9,-6.99,;-.19,-8.08,;.5,-5.5,;-4.04,1.32,;-5.38,.55,;-6.71,1.32,;-6.71,2.86,;-8.05,3.63,;-5.38,3.63,;-5.38,5.17,;-4.13,6.08,;-2.8,5.31,;-4.61,7.54,;-6.15,7.54,;-6.92,8.88,;-6.62,6.08,;-7.96,5.31,;-4.04,2.86,;-.14,2.09,;.63,.76,;.88,3.25,;2.36,2.85,;3.45,3.94,;2.98,5.41,;4.22,6.31,;5.51,5.42,;4.99,3.94,;6.97,5.9,;7.29,7.4,;8.12,4.87,)| Show InChI InChI=1S/C36H38Cl2N4O5/c1-19-16-25(17-20(2)32(19)38)46-15-7-8-26-27-10-11-28(37)31(30-22(4)39-40(6)23(30)5)33(27)41-14-13-21(3)42(35(43)34(26)41)18-24-9-12-29(47-24)36(44)45/h9-12,16-17,21H,7-8,13-15,18H2,1-6H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429030
(US10533010, Example I-127 | US11208415, Example I-...)Show SMILES CC1CCn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |(1.85,5.54,;.52,4.77,;-.84,5.5,;-2.25,4.89,;-2.66,3.34,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-.22,2.09,;.55,.76,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-18-28(19-22(2)34(21)40)48-17-7-8-29-30-13-14-31(39)33(32-24(4)41-42(6)25(32)5)35(30)43-16-15-23(3)44(37(45)36(29)43)20-26-9-11-27(12-10-26)38(46)47/h9-14,18-19,23H,7-8,15-17,20H2,1-6H3,(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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429031
(US10533010, Example I-128 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-1.86,6.01,;-1.46,4.52,;.07,4.68,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.35,2.03,;1.12,.7,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;-2.08,3.12,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-20(3)16-40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429032
(US10533010, Example I-129 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-19-14-26(15-20(2)32(19)38)47-13-7-8-27-28-11-12-29(37)31(30-22(4)40-41(6)23(30)5)33(28)43-21(3)17-42(35(44)34(27)43)18-25-10-9-24(16-39-25)36(45)46/h9-12,14-16,21H,7-8,13,17-18H2,1-6H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429033
(US10533010, Example I-130 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429034
(US10533010, Example I-131 | US11208415, Example I-...)Show SMILES CC1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |(-1.75,6.01,;-1.35,4.52,;.18,4.68,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.46,2.03,;1.23,.7,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;-1.97,3.12,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429035
(US10533010, Example I-132 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.75,7.04,;-.75,5.5,;.6,4.77,;.88,3.25,;2.36,2.85,;3.45,3.94,;2.98,5.41,;4.22,6.31,;5.51,5.42,;4.99,3.94,;6.97,5.9,;7.29,7.4,;8.12,4.87,;-.14,2.09,;.63,.76,;-1.67,2.09,;-2.58,.85,;-2.18,-.64,;-.69,-1.04,;-.3,-2.53,;1.19,-2.93,;1.59,-4.41,;3.08,-4.81,;3.48,-6.3,;4.96,-6.7,;2.39,-7.39,;2.79,-8.88,;.9,-6.99,;-.19,-8.08,;.5,-5.5,;-4.04,1.32,;-5.38,.55,;-6.71,1.32,;-6.71,2.86,;-8.05,3.63,;-5.38,3.63,;-5.38,5.17,;-4.13,6.08,;-2.8,5.31,;-4.61,7.54,;-6.15,7.54,;-6.92,8.88,;-6.62,6.08,;-7.96,5.31,;-4.04,2.86,;-2.58,3.34,;-2.17,4.89,)| Show InChI InChI=1S/C36H38Cl2N4O5/c1-19-16-41(18-24-9-12-29(47-24)36(44)45)35(43)34-26(8-7-13-46-25-14-20(2)32(38)21(3)15-25)27-10-11-28(37)31(33(27)42(34)17-19)30-22(4)39-40(6)23(30)5/h9-12,14-15,19H,7-8,13,16-18H2,1-6H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429036
(US10533010, Example I-133 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.84,7.04,;-.84,5.5,;.52,4.77,;.8,3.25,;2.28,2.85,;3.37,3.94,;4.86,3.54,;5.95,4.63,;5.59,6.16,;4.06,6.52,;2.97,5.43,;6.68,7.25,;6.28,8.74,;8.17,6.85,;-.22,2.09,;.55,.76,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-2.66,3.34,;-2.25,4.89,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-21-18-43(20-26-9-11-27(12-10-26)38(46)47)37(45)36-29(8-7-15-48-28-16-22(2)34(40)23(3)17-28)30-13-14-31(39)33(35(30)44(36)19-21)32-24(4)41-42(6)25(32)5/h9-14,16-17,21H,7-8,15,18-20H2,1-6H3,(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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429037
(US10533010, Example I-134 | US11208415, Example I-...)Show SMILES CC1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(-.84,7.04,;-.84,5.5,;.52,4.77,;.8,3.25,;2.28,2.85,;3.37,3.94,;2.97,5.43,;4.06,6.52,;5.59,6.16,;5.95,4.63,;4.86,3.54,;6.68,7.25,;6.28,8.74,;8.17,6.85,;-.22,2.09,;.55,.76,;-1.76,2.09,;-2.66,.85,;-2.26,-.64,;-.77,-1.04,;-.38,-2.53,;1.11,-2.93,;1.51,-4.41,;3,-4.81,;3.4,-6.3,;4.88,-6.7,;2.31,-7.39,;2.71,-8.88,;.82,-6.99,;-.27,-8.08,;.42,-5.5,;-4.13,1.32,;-5.46,.55,;-6.79,1.32,;-6.79,2.86,;-8.13,3.63,;-5.46,3.63,;-5.46,5.17,;-4.21,6.08,;-2.88,5.31,;-4.69,7.54,;-6.23,7.54,;-7,8.88,;-6.71,6.08,;-8.04,5.31,;-4.13,2.86,;-2.66,3.34,;-2.25,4.89,)| Show InChI InChI=1S/C37H39Cl2N5O4/c1-20-17-43(19-26-10-9-25(16-40-26)37(46)47)36(45)35-28(8-7-13-48-27-14-21(2)33(39)22(3)15-27)29-11-12-30(38)32(34(29)44(35)18-20)31-23(4)41-42(6)24(31)5/h9-12,14-16,20H,7-8,13,17-19H2,1-6H3,(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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429038
(US10533010, Example I-135 | US11208415, Example I-...)Show SMILES CC1CN(Cc2cccc(OC=O)c2)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n2C1 |(.25,6.53,;.25,4.99,;1.61,4.26,;1.88,2.74,;3.37,2.35,;4.46,3.43,;5.95,3.04,;7.04,4.12,;6.64,5.61,;5.14,6.06,;4.74,7.55,;5.83,8.64,;7.32,8.24,;4.06,4.92,;.87,1.58,;1.64,.25,;-.67,1.58,;-1.57,.34,;-1.17,-1.15,;.31,-1.55,;.71,-3.04,;2.2,-3.43,;2.6,-4.92,;4.09,-5.32,;4.48,-6.81,;5.97,-7.21,;3.4,-7.9,;3.79,-9.38,;1.91,-7.5,;.82,-8.59,;1.51,-6.01,;-3.04,.81,;-4.37,.04,;-5.7,.81,;-5.7,2.35,;-7.04,3.12,;-4.37,3.12,;-4.37,4.66,;-3.12,5.57,;-1.79,4.8,;-3.6,7.03,;-5.14,7.03,;-5.91,8.37,;-5.62,5.57,;-6.95,4.8,;-3.04,2.35,;-1.57,2.83,;-1.16,4.38,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-22-18-43(20-27-9-7-10-28(17-27)48-21-45)38(46)37-30(11-8-14-47-29-15-23(2)35(40)24(3)16-29)31-12-13-32(39)34(36(31)44(37)19-22)33-25(4)41-42(6)26(33)5/h7,9-10,12-13,15-17,21-22H,8,11,14,18-20H2,1-6H3 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429039
(US10533010, Example I-136 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wD:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46)/t22-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429040
(US10533010, Example I-137 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wD:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-19-14-26(15-20(2)32(19)38)47-13-7-8-27-28-11-12-29(37)31(30-22(4)40-41(6)23(30)5)33(28)43-17-21(3)42(35(44)34(27)43)18-25-10-9-24(16-39-25)36(45)46/h9-12,14-16,21H,7-8,13,17-18H2,1-6H3,(H,45,46)/t21-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429041
(US10533010, Example I-138 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wD:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-16-20(3)40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429042
(US10533010, Example I-139 | US11208415, Example I-...)Show SMILES C[C@H]1Cn2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wD:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-18-22(3)42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429043
(US10533010, Example I-140 | 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)=O)CCn3c12 |(-1.3,4.2,;-2.64,4.97,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-3.88,4.06,;-3.88,2.52,;-5.22,1.75,;-6.55,2.52,;-5.22,.21,;-3.88,-.56,;-2.55,.21,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-.18,.98,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-2.55,1.75,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-17-26(18-21(2)32(20)38)46-16-6-7-27-28-12-13-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-15-14-41(35(43)34(27)42)19-24-8-10-25(11-9-24)36(44)45/h8-13,17-18H,6-7,14-16,19H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429044
(US10533010, Example I-141 | US11208415, Example I-...)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)CCn3c12 |(-2.19,5.09,;-3.53,5.86,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-4.77,4.95,;-4.77,3.41,;-6.11,2.64,;-7.44,3.41,;-6.11,1.1,;-4.77,.33,;-3.44,1.1,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-1.07,1.87,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.18,4.68,;-1.35,4.52,;-1.97,3.12,;-3.44,2.64,)| Show InChI InChI=1S/C36H36Cl2N4O4/c1-20-16-26(17-21(2)32(20)38)46-15-7-10-27-28-11-12-29(37)31(30-22(3)39-40(5)23(30)4)33(28)42-14-13-41(35(43)34(27)42)19-24-8-6-9-25(18-24)36(44)45/h6,8-9,11-12,16-18H,7,10,13-15,19H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429045
(US10533010, Example I-142 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(cn4)C(O)=O)CCn3c12 |(-1.3,4.2,;-2.64,4.97,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-3.88,4.06,;-3.88,2.52,;-5.22,1.75,;-6.55,2.52,;-5.22,.21,;-3.88,-.56,;-2.55,.21,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-.18,.98,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.07,3.8,;-.46,3.63,;-1.08,2.23,;-2.55,1.75,)| Show InChI InChI=1S/C35H35Cl2N5O4/c1-19-15-25(16-20(2)31(19)37)46-14-6-7-26-27-10-11-28(36)30(29-21(3)39-40(5)22(29)4)32(27)42-13-12-41(34(43)33(26)42)18-24-9-8-23(17-38-24)35(44)45/h8-11,15-17H,6-7,12-14,18H2,1-5H3,(H,44,45) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429046
(US10533010, Example I-143 | US11208415, Example I-...)Show SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(Cc4ccc(o4)C(O)=O)CCn3c12 |(-2.3,5.08,;-3.64,5.85,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-4.88,4.95,;-4.88,3.41,;-6.22,2.64,;-7.55,3.41,;-6.22,1.1,;-4.88,.33,;-3.55,1.1,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-1.18,1.87,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.07,4.68,;-1.46,4.52,;-2.08,3.12,;-3.55,2.64,)| Show InChI InChI=1S/C34H34Cl2N4O5/c1-18-15-23(16-19(2)30(18)36)44-14-6-7-24-25-9-10-26(35)29(28-20(3)37-38(5)21(28)4)31(25)40-13-12-39(33(41)32(24)40)17-22-8-11-27(45-22)34(42)43/h8-11,15-16H,6-7,12-14,17H2,1-5H3,(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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429047
(US10533010, Example I-144 | US11208415, Example I-...)Show SMILES C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cc1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-.86,5.12,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-20-17-28(18-21(2)34(20)40)48-16-8-9-29-30-14-15-31(39)33(32-22(3)41-42(7)25(32)6)35(30)44-24(5)23(4)43(37(45)36(29)44)19-26-10-12-27(13-11-26)38(46)47/h10-15,17-18,23-24H,8-9,16,19H2,1-7H3,(H,46,47)/t23-,24?/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429048
(US10533010, Example I-145 | US11208415, Example I-...)Show SMILES C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1cccc(c1)C(O)=O |r,wU:1.0,(.95,6.02,;.18,4.68,;-1.35,4.52,;-1.75,6.01,;-1.97,3.12,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;.46,2.03,;1.23,.7,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,)| Show InChI InChI=1S/C38H40Cl2N4O4/c1-20-16-28(17-21(2)34(20)40)48-15-9-12-29-30-13-14-31(39)33(32-22(3)41-42(7)25(32)6)35(30)44-24(5)23(4)43(37(45)36(29)44)19-26-10-8-11-27(18-26)38(46)47/h8,10-11,13-14,16-18,23-24H,9,12,15,19H2,1-7H3,(H,46,47)/t23-,24?/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429049
(US10533010, Example I-146 | US11208415, Example I-...)Show SMILES C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(cn1)C(O)=O |r,wU:1.0,(1.84,5.13,;1.07,3.8,;-.46,3.63,;-.86,5.12,;-1.08,2.23,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;1.35,1.14,;2.12,-.19,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,)| Show InChI InChI=1S/C37H39Cl2N5O4/c1-19-15-27(16-20(2)33(19)39)48-14-8-9-28-29-12-13-30(38)32(31-21(3)41-42(7)24(31)6)34(29)44-23(5)22(4)43(36(45)35(28)44)18-26-11-10-25(17-40-26)37(46)47/h10-13,15-17,22-23H,8-9,14,18H2,1-7H3,(H,46,47)/t22-,23?/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429050
(US10533010, Example I-147 | US11208415, Example I-...)Show SMILES C[C@@H]1C(C)n2c(c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c23)C(=O)N1Cc1ccc(o1)C(O)=O |r,wU:1.0,(.84,6.02,;.07,4.68,;-1.46,4.52,;-1.86,6.01,;-2.08,3.12,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;.35,2.03,;1.12,.7,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,)| Show InChI InChI=1S/C36H38Cl2N4O5/c1-18-15-25(16-19(2)32(18)38)46-14-8-9-26-27-11-12-28(37)31(30-20(3)39-40(7)23(30)6)33(27)42-22(5)21(4)41(35(43)34(26)42)17-24-10-13-29(47-24)36(44)45/h10-13,15-16,21-22H,8-9,14,17H2,1-7H3,(H,44,45)/t21-,22?/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429051
(US10533010, Example I-148 | US11208415, Example I-...)Show SMILES C[C@H]1CN(Cc2ccc(o2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-1.86,6.01,;-1.46,4.52,;.07,4.68,;.98,3.44,;2.47,3.84,;2.87,5.32,;2.39,6.79,;3.64,7.69,;4.92,6.8,;4.41,5.32,;6.39,7.28,;6.71,8.78,;7.53,6.25,;.35,2.03,;1.12,.7,;-1.18,1.87,;-2.08,.62,;-1.68,-.86,;-.2,-1.26,;.2,-2.75,;1.69,-3.15,;2.09,-4.64,;3.57,-5.03,;3.97,-6.52,;5.46,-6.92,;2.88,-7.61,;3.28,-9.1,;1.4,-7.21,;.31,-8.3,;1,-5.72,;-3.55,1.1,;-4.88,.33,;-6.22,1.1,;-6.22,2.64,;-7.55,3.41,;-4.88,3.41,;-4.88,4.95,;-3.64,5.85,;-2.3,5.08,;-4.11,7.32,;-5.65,7.32,;-6.42,8.65,;-6.13,5.85,;-7.46,5.08,;-3.55,2.64,;-2.08,3.12,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-20(3)16-40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429052
(US10533010, Example I-149 | US11208415, Example I-...)Show SMILES C[C@H]1CN(Cc2ccc(cn2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-19-14-26(15-20(2)32(19)38)47-13-7-8-27-28-11-12-29(37)31(30-22(4)40-41(6)23(30)5)33(28)43-21(3)17-42(35(44)34(27)43)18-25-10-9-24(16-39-25)36(45)46/h9-12,14-16,21H,7-8,13,17-18H2,1-6H3,(H,45,46)/t21-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429053
(US10533010, Example I-150 | US11208415, Example I-...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;5.35,4.83,;5.75,6.32,;4.68,7.46,;3.18,7.01,;2.78,5.52,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-16-27(17-21(2)33(20)39)47-15-7-8-28-29-13-14-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-11-26(12-10-25)37(45)46/h9-14,16-17,22H,7-8,15,18-19H2,1-6H3,(H,45,46)/t22-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429054
(US10533010, Example I-151 | US11208415, Example I-...)Show SMILES C[C@H]1CN(Cc2cccc(c2)C(O)=O)C(=O)c2c(CCCOc3cc(C)c(Cl)c(C)c3)c3ccc(Cl)c(-c4c(C)nn(C)c4C)c3n12 |r,wU:1.0,(-1.75,6.01,;-1.35,4.52,;.18,4.68,;1.09,3.44,;2.58,3.84,;2.98,5.33,;1.89,6.41,;2.29,7.9,;3.77,8.3,;4.92,7.23,;4.46,5.72,;6.4,7.62,;6.8,9.11,;7.49,6.54,;.46,2.03,;1.23,.7,;-1.07,1.87,;-1.97,.63,;-1.57,-.86,;-.09,-1.26,;.31,-2.75,;1.8,-3.15,;2.2,-4.63,;3.69,-5.03,;4.08,-6.52,;5.57,-6.92,;2.99,-7.61,;3.39,-9.1,;1.51,-7.21,;.42,-8.3,;1.11,-5.72,;-3.44,1.1,;-4.77,.33,;-6.11,1.1,;-6.11,2.64,;-7.44,3.41,;-4.77,3.41,;-4.77,4.95,;-3.53,5.86,;-2.19,5.09,;-4,7.32,;-5.54,7.32,;-6.31,8.65,;-6.02,5.86,;-7.35,5.09,;-3.44,2.64,;-1.97,3.12,)| Show InChI InChI=1S/C37H38Cl2N4O4/c1-20-15-27(16-21(2)33(20)39)47-14-8-11-28-29-12-13-30(38)32(31-23(4)40-41(6)24(31)5)34(29)43-22(3)18-42(36(44)35(28)43)19-25-9-7-10-26(17-25)37(45)46/h7,9-10,12-13,15-17,22H,8,11,14,18-19H2,1-6H3,(H,45,46)/t22-/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429055
(US10533010, Example I-152 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(Cc2ccc(o2)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,(-2.21,6.92,;-1.82,5.43,;-.28,5.59,;.62,4.35,;2.11,4.74,;3.2,3.66,;2.96,2.13,;4.33,1.44,;5.46,2.52,;4.72,3.9,;6.98,2.28,;7.95,3.47,;7.53,.84,;-.01,2.94,;.76,1.61,;-1.54,2.78,;-2.44,1.53,;-2.04,.04,;-3.16,-1.01,;-2.81,-2.51,;-3.93,-3.57,;-3.57,-5.07,;-4.7,-6.12,;-4.34,-7.62,;-5.46,-8.68,;-2.87,-8.06,;-2.51,-9.56,;-1.74,-7.01,;-.27,-7.45,;-2.1,-5.51,;-3.91,2.01,;-5.24,1.24,;-6.57,2.01,;-6.57,3.55,;-7.91,4.32,;-5.24,4.32,;-5.24,5.86,;-3.99,6.76,;-2.66,5.99,;-4.47,8.23,;-6.01,8.23,;-6.78,9.56,;-6.49,6.76,;-7.82,5.99,;-3.91,3.55,;-2.44,4.02,)| Show InChI InChI=1S/C35H36Cl2N4O5/c1-18-14-24(15-19(2)31(18)37)45-13-7-8-25-26-10-11-27(36)30(29-21(4)38-39(6)22(29)5)32(26)41-20(3)16-40(34(42)33(25)41)17-23-9-12-28(46-23)35(43)44/h9-12,14-15,20H,7-8,13,16-17H2,1-6H3,(H,43,44)/t20-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM429056
(US10533010, Example I-153 | US11208415, Example I-...)Show SMILES C[C@@H]1CN(Cc2ccc(cn2)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,(-.86,5.12,;-.46,3.63,;1.07,3.8,;1.98,2.55,;3.47,2.95,;3.87,4.44,;2.78,5.52,;3.18,7.01,;4.68,7.46,;5.75,6.32,;5.35,4.83,;5.08,8.95,;3.99,10.04,;6.56,9.35,;1.35,1.14,;2.12,-.19,;-.18,.98,;-1.08,-.26,;-.68,-1.75,;.8,-2.15,;1.2,-3.64,;2.69,-4.04,;3.09,-5.52,;4.57,-5.92,;4.97,-7.41,;6.46,-7.81,;3.88,-8.5,;4.28,-9.99,;2.4,-8.1,;1.31,-9.19,;2,-6.61,;-2.55,.21,;-3.88,-.56,;-5.22,.21,;-5.22,1.75,;-6.55,2.52,;-3.88,2.52,;-3.88,4.06,;-2.64,4.97,;-1.3,4.2,;-3.11,6.43,;-4.65,6.43,;-5.42,7.76,;-5.13,4.97,;-6.46,4.2,;-2.55,1.75,;-1.08,2.23,)| Show InChI InChI=1S/C36H37Cl2N5O4/c1-19-14-26(15-20(2)32(19)38)47-13-7-8-27-28-11-12-29(37)31(30-22(4)40-41(6)23(30)5)33(28)43-21(3)17-42(35(44)34(27)43)18-25-10-9-24(16-39-25)36(45)46/h9-12,14-16,21H,7-8,13,17-18H2,1-6H3,(H,45,46)/t21-/m1/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 |
Vanderbilt University
US Patent
| Assay Description
Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ... |
US Patent US10533010 (2020)
BindingDB Entry DOI: 10.7270/Q2T72KVG |
More data for this
Ligand-Target Pair | |
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