Found 3 hits for monomerid = 50246750 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Ephrin type-A receptor 2
(Homo sapiens (Human)) | BDBM50246750
(CHEMBL4071045)Show SMILES NC(=O)[C@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)c2ccc(CSCCC1=O)cc2)C(=O)CCC1CCCCC1)C(=O)Cc1ccc2OCOc2c1)C(=O)CCC(O)=O |r,wU:69.74,57.62,81.86,43.47,3.40,(24.07,-26.19,;22.75,-25.4,;21.41,-26.16,;22.76,-23.86,;24.1,-23.11,;25.43,-23.89,;26.77,-23.13,;28.1,-23.91,;29.44,-23.15,;30.76,-23.94,;30.75,-25.48,;32.1,-23.18,;33.43,-23.96,;34.76,-23.2,;36.09,-23.97,;36.08,-25.52,;34.74,-26.28,;33.41,-25.5,;33.95,-27.6,;34.71,-28.95,;32.41,-27.59,;37.4,-26.3,;38.74,-25.54,;38.75,-24.01,;40.09,-23.25,;41.42,-24.03,;42.76,-23.27,;41.4,-25.57,;40.06,-26.32,;40.05,-27.87,;38.71,-28.62,;38.69,-30.15,;37.35,-30.89,;37.32,-32.43,;36.04,-30.1,;36.05,-28.6,;37.39,-27.83,;21.43,-23.08,;21.45,-21.54,;22.79,-20.78,;20.12,-20.76,;20.14,-19.22,;21.47,-20,;22.73,-19.23,;24.17,-19.94,;25.64,-19.48,;26.76,-20.53,;28.23,-20.07,;28.57,-18.57,;27.43,-17.52,;25.96,-17.99,;22.62,-17.2,;23.95,-16.42,;25.29,-17.18,;23.94,-14.88,;22.6,-14.12,;22.58,-12.58,;21.24,-11.82,;21.23,-10.28,;22.56,-9.5,;22.55,-7.96,;21.21,-7.2,;23.87,-7.18,;19.92,-12.6,;18.58,-11.85,;18.56,-10.31,;17.25,-12.63,;15.91,-11.87,;14.58,-12.65,;13.24,-11.89,;13.23,-10.35,;11.89,-9.59,;11.88,-8.05,;13.2,-7.27,;10.54,-7.29,;11.92,-12.67,;10.58,-11.91,;10.56,-10.37,;9.25,-12.69,;9.26,-14.23,;8.16,-15.32,;8.15,-16.86,;6.81,-17.63,;5.48,-16.85,;5.5,-15.31,;4.17,-14.53,;2.83,-15.3,;2.83,-16.84,;4.16,-17.61,;9.48,-17.64,;9.47,-19.18,;8.14,-19.94,;10.8,-19.96,;10.79,-21.49,;12.12,-22.27,;13.46,-21.51,;14.79,-22.28,;16.13,-21.52,;16.13,-19.98,;17.47,-19.21,;18.8,-19.99,;18.79,-21.53,;13.46,-19.96,;12.13,-19.19,;7.93,-13.46,;7.93,-11.92,;6.59,-14.23,;5.25,-13.45,;5.28,-11.91,;6.62,-11.16,;6.63,-9.62,;5.31,-8.84,;3.97,-9.59,;3.95,-11.12,;15.9,-10.33,;14.56,-9.57,;17.22,-9.55,;17.21,-8.01,;15.87,-7.26,;15.85,-5.72,;17.19,-4.93,;17.5,-3.42,;19.03,-3.25,;19.67,-4.66,;18.53,-5.69,;18.54,-7.23,;23.93,-13.34,;23.91,-11.8,;25.27,-14.1,;26.59,-13.31,;27.93,-14.07,;29.26,-13.29,;27.95,-15.61,)| Show InChI InChI=1S/C96H110N12O23S2/c97-93(125)76(18-10-11-40-98-96(132)103-65-25-30-72(75(46-65)95(127)128)92-73-31-28-70(109)47-78(73)131-79-48-71(110)29-32-74(79)92)104-84(114)56-107-51-68(42-60-14-6-2-7-15-60)101-83(113)54-105(86(116)35-38-91(123)124)49-66(26-36-89(119)120)99-82(112)55-108(88(118)45-63-21-33-77-80(44-63)130-58-129-77)50-67(27-37-90(121)122)100-81(111)53-106(85(115)34-22-59-12-4-1-5-13-59)52-69(43-61-16-8-3-9-17-61)102-94(126)64-23-19-62(20-24-64)57-133-41-39-87(107)117/h2-3,6-9,14-17,19-21,23-25,28-33,44,46-48,59,66-69,76,109H,1,4-5,10-13,18,22,26-27,34-43,45,49-58H2,(H2,97,125)(H,99,112)(H,100,111)(H,101,113)(H,102,126)(H,104,114)(H,119,120)(H,121,122)(H,123,124)(H,127,128)(H2,98,103,132)/t66-,67-,68-,69-,76-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human GST-tagged EphA2 cytoplasmic domain (560 to 976 residues) expressed in baculovirus expression system by fluores... |
J Med Chem 60: 9290-9298 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01280
BindingDB Entry DOI: 10.7270/Q20C4Z5R |
More data for this
Ligand-Target Pair | |
I-kappa-B-alpha
(Homo sapiens (Human)) | BDBM50246750
(CHEMBL4071045)Show SMILES NC(=O)[C@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)c2ccc(CSCCC1=O)cc2)C(=O)CCC1CCCCC1)C(=O)Cc1ccc2OCOc2c1)C(=O)CCC(O)=O |r,wU:69.74,57.62,81.86,43.47,3.40,(24.07,-26.19,;22.75,-25.4,;21.41,-26.16,;22.76,-23.86,;24.1,-23.11,;25.43,-23.89,;26.77,-23.13,;28.1,-23.91,;29.44,-23.15,;30.76,-23.94,;30.75,-25.48,;32.1,-23.18,;33.43,-23.96,;34.76,-23.2,;36.09,-23.97,;36.08,-25.52,;34.74,-26.28,;33.41,-25.5,;33.95,-27.6,;34.71,-28.95,;32.41,-27.59,;37.4,-26.3,;38.74,-25.54,;38.75,-24.01,;40.09,-23.25,;41.42,-24.03,;42.76,-23.27,;41.4,-25.57,;40.06,-26.32,;40.05,-27.87,;38.71,-28.62,;38.69,-30.15,;37.35,-30.89,;37.32,-32.43,;36.04,-30.1,;36.05,-28.6,;37.39,-27.83,;21.43,-23.08,;21.45,-21.54,;22.79,-20.78,;20.12,-20.76,;20.14,-19.22,;21.47,-20,;22.73,-19.23,;24.17,-19.94,;25.64,-19.48,;26.76,-20.53,;28.23,-20.07,;28.57,-18.57,;27.43,-17.52,;25.96,-17.99,;22.62,-17.2,;23.95,-16.42,;25.29,-17.18,;23.94,-14.88,;22.6,-14.12,;22.58,-12.58,;21.24,-11.82,;21.23,-10.28,;22.56,-9.5,;22.55,-7.96,;21.21,-7.2,;23.87,-7.18,;19.92,-12.6,;18.58,-11.85,;18.56,-10.31,;17.25,-12.63,;15.91,-11.87,;14.58,-12.65,;13.24,-11.89,;13.23,-10.35,;11.89,-9.59,;11.88,-8.05,;13.2,-7.27,;10.54,-7.29,;11.92,-12.67,;10.58,-11.91,;10.56,-10.37,;9.25,-12.69,;9.26,-14.23,;8.16,-15.32,;8.15,-16.86,;6.81,-17.63,;5.48,-16.85,;5.5,-15.31,;4.17,-14.53,;2.83,-15.3,;2.83,-16.84,;4.16,-17.61,;9.48,-17.64,;9.47,-19.18,;8.14,-19.94,;10.8,-19.96,;10.79,-21.49,;12.12,-22.27,;13.46,-21.51,;14.79,-22.28,;16.13,-21.52,;16.13,-19.98,;17.47,-19.21,;18.8,-19.99,;18.79,-21.53,;13.46,-19.96,;12.13,-19.19,;7.93,-13.46,;7.93,-11.92,;6.59,-14.23,;5.25,-13.45,;5.28,-11.91,;6.62,-11.16,;6.63,-9.62,;5.31,-8.84,;3.97,-9.59,;3.95,-11.12,;15.9,-10.33,;14.56,-9.57,;17.22,-9.55,;17.21,-8.01,;15.87,-7.26,;15.85,-5.72,;17.19,-4.93,;17.5,-3.42,;19.03,-3.25,;19.67,-4.66,;18.53,-5.69,;18.54,-7.23,;23.93,-13.34,;23.91,-11.8,;25.27,-14.1,;26.59,-13.31,;27.93,-14.07,;29.26,-13.29,;27.95,-15.61,)| Show InChI InChI=1S/C96H110N12O23S2/c97-93(125)76(18-10-11-40-98-96(132)103-65-25-30-72(75(46-65)95(127)128)92-73-31-28-70(109)47-78(73)131-79-48-71(110)29-32-74(79)92)104-84(114)56-107-51-68(42-60-14-6-2-7-15-60)101-83(113)54-105(86(116)35-38-91(123)124)49-66(26-36-89(119)120)99-82(112)55-108(88(118)45-63-21-33-77-80(44-63)130-58-129-77)50-67(27-37-90(121)122)100-81(111)53-106(85(115)34-22-59-12-4-1-5-13-59)52-69(43-61-16-8-3-9-17-61)102-94(126)64-23-19-62(20-24-64)57-133-41-39-87(107)117/h2-3,6-9,14-17,19-21,23-25,28-33,44,46-48,59,66-69,76,109H,1,4-5,10-13,18,22,26-27,34-43,45,49-58H2,(H2,97,125)(H,99,112)(H,100,111)(H,101,113)(H,102,126)(H,104,114)(H,119,120)(H,121,122)(H,123,124)(H,127,128)(H2,98,103,132)/t66-,67-,68-,69-,76-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Binding affinity to NFKBIA (unknown origin) |
J Med Chem 60: 9290-9298 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01280
BindingDB Entry DOI: 10.7270/Q20C4Z5R |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50246750
(CHEMBL4071045)Show SMILES NC(=O)[C@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)NC(=O)CN1C[C@H](Cc2ccccc2)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](CCC(O)=O)NC(=O)CN(C[C@H](Cc2ccccc2)NC(=O)c2ccc(CSCCC1=O)cc2)C(=O)CCC1CCCCC1)C(=O)Cc1ccc2OCOc2c1)C(=O)CCC(O)=O |r,wU:69.74,57.62,81.86,43.47,3.40,(24.07,-26.19,;22.75,-25.4,;21.41,-26.16,;22.76,-23.86,;24.1,-23.11,;25.43,-23.89,;26.77,-23.13,;28.1,-23.91,;29.44,-23.15,;30.76,-23.94,;30.75,-25.48,;32.1,-23.18,;33.43,-23.96,;34.76,-23.2,;36.09,-23.97,;36.08,-25.52,;34.74,-26.28,;33.41,-25.5,;33.95,-27.6,;34.71,-28.95,;32.41,-27.59,;37.4,-26.3,;38.74,-25.54,;38.75,-24.01,;40.09,-23.25,;41.42,-24.03,;42.76,-23.27,;41.4,-25.57,;40.06,-26.32,;40.05,-27.87,;38.71,-28.62,;38.69,-30.15,;37.35,-30.89,;37.32,-32.43,;36.04,-30.1,;36.05,-28.6,;37.39,-27.83,;21.43,-23.08,;21.45,-21.54,;22.79,-20.78,;20.12,-20.76,;20.14,-19.22,;21.47,-20,;22.73,-19.23,;24.17,-19.94,;25.64,-19.48,;26.76,-20.53,;28.23,-20.07,;28.57,-18.57,;27.43,-17.52,;25.96,-17.99,;22.62,-17.2,;23.95,-16.42,;25.29,-17.18,;23.94,-14.88,;22.6,-14.12,;22.58,-12.58,;21.24,-11.82,;21.23,-10.28,;22.56,-9.5,;22.55,-7.96,;21.21,-7.2,;23.87,-7.18,;19.92,-12.6,;18.58,-11.85,;18.56,-10.31,;17.25,-12.63,;15.91,-11.87,;14.58,-12.65,;13.24,-11.89,;13.23,-10.35,;11.89,-9.59,;11.88,-8.05,;13.2,-7.27,;10.54,-7.29,;11.92,-12.67,;10.58,-11.91,;10.56,-10.37,;9.25,-12.69,;9.26,-14.23,;8.16,-15.32,;8.15,-16.86,;6.81,-17.63,;5.48,-16.85,;5.5,-15.31,;4.17,-14.53,;2.83,-15.3,;2.83,-16.84,;4.16,-17.61,;9.48,-17.64,;9.47,-19.18,;8.14,-19.94,;10.8,-19.96,;10.79,-21.49,;12.12,-22.27,;13.46,-21.51,;14.79,-22.28,;16.13,-21.52,;16.13,-19.98,;17.47,-19.21,;18.8,-19.99,;18.79,-21.53,;13.46,-19.96,;12.13,-19.19,;7.93,-13.46,;7.93,-11.92,;6.59,-14.23,;5.25,-13.45,;5.28,-11.91,;6.62,-11.16,;6.63,-9.62,;5.31,-8.84,;3.97,-9.59,;3.95,-11.12,;15.9,-10.33,;14.56,-9.57,;17.22,-9.55,;17.21,-8.01,;15.87,-7.26,;15.85,-5.72,;17.19,-4.93,;17.5,-3.42,;19.03,-3.25,;19.67,-4.66,;18.53,-5.69,;18.54,-7.23,;23.93,-13.34,;23.91,-11.8,;25.27,-14.1,;26.59,-13.31,;27.93,-14.07,;29.26,-13.29,;27.95,-15.61,)| Show InChI InChI=1S/C96H110N12O23S2/c97-93(125)76(18-10-11-40-98-96(132)103-65-25-30-72(75(46-65)95(127)128)92-73-31-28-70(109)47-78(73)131-79-48-71(110)29-32-74(79)92)104-84(114)56-107-51-68(42-60-14-6-2-7-15-60)101-83(113)54-105(86(116)35-38-91(123)124)49-66(26-36-89(119)120)99-82(112)55-108(88(118)45-63-21-33-77-80(44-63)130-58-129-77)50-67(27-37-90(121)122)100-81(111)53-106(85(115)34-22-59-12-4-1-5-13-59)52-69(43-61-16-8-3-9-17-61)102-94(126)64-23-19-62(20-24-64)57-133-41-39-87(107)117/h2-3,6-9,14-17,19-21,23-25,28-33,44,46-48,59,66-69,76,109H,1,4-5,10-13,18,22,26-27,34-43,45,49-58H2,(H2,97,125)(H,99,112)(H,100,111)(H,101,113)(H,102,126)(H,104,114)(H,119,120)(H,121,122)(H,123,124)(H,127,128)(H2,98,103,132)/t66-,67-,68-,69-,76-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.62E+3 | n/a | n/a | n/a | n/a | n/a |
University of South Florida
Curated by ChEMBL
| Assay Description
Binding affinity to AKT1 (unknown origin) |
J Med Chem 60: 9290-9298 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01280
BindingDB Entry DOI: 10.7270/Q20C4Z5R |
More data for this
Ligand-Target Pair | |
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