Found 21 hits of kd for UniProtKB: P29353 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 |
|---|
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276315
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,72.76,(25.07,1.94,;25.09,.4,;26.43,-.36,;23.76,-.4,;23.79,-1.93,;22.47,-2.72,;21.12,-1.98,;21.09,-.44,;19.81,-2.76,;18.46,-2.01,;17.15,-2.81,;17.17,-4.34,;15.8,-2.05,;15.78,-.51,;17.1,.28,;17.08,1.82,;15.74,2.57,;18.4,2.61,;14.48,-2.84,;13.13,-2.09,;13.11,-.55,;11.81,-2.88,;11.84,-4.42,;13.18,-5.17,;13.19,-6.71,;14.55,-7.46,;15.87,-6.67,;17.21,-7.41,;17.24,-8.96,;17.26,-10.49,;18.79,-8.93,;15.7,-8.98,;15.84,-5.12,;14.49,-4.38,;10.47,-2.13,;9.14,-2.9,;9.14,-4.44,;7.8,-2.13,;6.47,-2.9,;5.14,-2.13,;3.8,-2.9,;2.47,-2.14,;1.14,-2.91,;-.2,-2.14,;1.14,-4.45,;2.45,-5.22,;2.45,-6.77,;1.12,-7.53,;-.21,-6.77,;-.21,-5.23,;-2.09,-4.54,;-3.1,-5.73,;-2.57,-7.17,;-3.56,-8.35,;-5.07,-8.08,;-6.07,-9.26,;-5.59,-6.63,;-4.61,-5.46,;-5.15,-4.01,;-4.14,-2.83,;-4.67,-1.39,;-3.69,-.2,;-4.21,1.24,;-2.16,-.47,;-1.63,-1.91,;-2.63,-3.1,;3.79,-7.54,;5.12,-8.31,;6.46,-9.08,;25.14,-2.68,;25.16,-4.23,;26.46,-1.89,;27.8,-2.65,;27.83,-4.18,;29.18,-4.94,;29.11,-1.86,;30.47,-2.61,;29.08,-.32,)| Show InChI InChI=1S/C51H58N9O16PS/c1-27(2)19-38(50(70)60-40(25-61)47(53)67)58-45(66)24-55-49(69)37(16-17-43(52)64)59-51(71)39(20-28-6-11-32(12-7-28)76-77(72,73)74)57-44(65)5-3-4-18-54-48(68)36-21-29(56-26-78)8-13-33(36)46-34-14-9-30(62)22-41(34)75-42-23-31(63)10-15-35(42)46/h6-15,21-23,27,37-40,61-62H,3-5,16-20,24-25H2,1-2H3,(H2,52,64)(H2,53,67)(H,54,68)(H,55,69)(H,57,65)(H,58,66)(H,59,71)(H,60,70)(H2,72,73,74)/t37-,38-,39-,40-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276331
(CHEMBL527088 | cis-4-((2S,5S,11S,14S)-1-amino-11-(...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,74.79,40.44,37.37,(26.83,-7.72,;26.98,-9.25,;28.38,-9.9,;25.72,-10.15,;25.87,-11.68,;24.54,-12.45,;23.2,-11.68,;23.2,-10.15,;21.88,-12.45,;20.54,-11.67,;19.21,-12.45,;19.21,-13.99,;17.88,-11.68,;17.88,-10.14,;19.22,-9.36,;19.22,-7.82,;17.89,-7.05,;20.55,-7.06,;16.54,-12.44,;15.21,-11.67,;15.21,-10.13,;13.88,-12.44,;13.88,-13.99,;15.21,-14.75,;15.19,-16.29,;16.54,-17.07,;17.87,-16.29,;19.21,-17.06,;19.21,-18.6,;19.21,-20.14,;20.76,-18.6,;17.67,-18.6,;17.87,-14.74,;16.53,-13.98,;12.54,-11.67,;12.54,-10.13,;13.88,-9.36,;11.24,-9.31,;9.87,-10.02,;8.58,-9.2,;8.65,-7.66,;10,-6.94,;11.3,-7.76,;7.34,-6.84,;7.4,-5.31,;8.77,-4.58,;6.1,-4.48,;4.74,-5.19,;3.43,-4.36,;3.5,-2.82,;4.86,-2.11,;6.16,-2.93,;7.93,-2,;7.73,-.46,;6.31,.12,;6.1,1.65,;7.32,2.59,;7.12,4.12,;8.74,2,;8.95,.48,;10.39,-.1,;10.58,-1.64,;12.01,-2.21,;12.22,-3.74,;13.64,-4.32,;10.99,-4.69,;9.57,-4.11,;9.36,-2.57,;2.07,-5.08,;.71,-5.8,;-.66,-6.52,;27.21,-12.45,;27.2,-14,;28.54,-11.68,;29.87,-12.45,;29.88,-13.99,;31.22,-14.77,;31.2,-11.69,;32.54,-12.46,;31.18,-10.16,)| Show InChI InChI=1S/C53H60N9O16PS/c1-27(2)19-40(52(72)62-42(25-63)48(55)68)59-46(67)24-56-51(71)39(17-18-45(54)66)60-53(73)41(20-28-3-12-34(13-4-28)78-79(74,75)76)61-49(69)29-5-7-30(8-6-29)58-50(70)38-21-31(57-26-80)9-14-35(38)47-36-15-10-32(64)22-43(36)77-44-23-33(65)11-16-37(44)47/h3-4,9-16,21-23,27,29-30,39-42,63-64H,5-8,17-20,24-25H2,1-2H3,(H2,54,66)(H2,55,68)(H,56,71)(H,58,70)(H,59,67)(H,60,73)(H,61,69)(H,62,72)(H2,74,75,76)/t29-,30+,39-,40-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276328
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1cccc(NC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)c1)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,75.80,(17.01,-.13,;18.41,-.76,;19.67,.13,;18.57,-2.3,;19.97,-2.93,;19.98,-4.47,;18.65,-5.25,;17.31,-4.49,;18.65,-6.78,;17.32,-7.55,;17.33,-9.09,;18.67,-9.86,;16,-9.87,;14.66,-9.1,;14.65,-7.56,;13.32,-6.79,;11.99,-7.56,;13.31,-5.26,;16,-11.41,;14.67,-12.18,;13.33,-11.41,;14.68,-13.72,;16.02,-14.49,;17.34,-13.71,;18.68,-14.49,;20.02,-13.7,;20.01,-12.16,;21.34,-11.38,;22.67,-12.15,;24.01,-12.91,;23.45,-10.8,;21.91,-13.48,;18.66,-11.4,;17.33,-12.18,;13.34,-14.49,;12.01,-13.73,;12.01,-12.19,;10.67,-14.5,;10.68,-16.04,;12.02,-16.82,;12.01,-18.36,;10.68,-19.13,;9.35,-18.35,;8.01,-19.12,;6.68,-18.34,;6.69,-16.8,;5.34,-19.11,;5.33,-20.64,;3.99,-21.41,;2.66,-20.62,;2.66,-19.09,;4,-18.33,;4.01,-16.32,;2.55,-15.78,;1.37,-16.76,;-.07,-16.23,;-.33,-14.71,;-1.78,-14.17,;.86,-13.73,;2.29,-14.26,;3.48,-13.26,;4.93,-13.82,;6.11,-12.83,;7.56,-13.35,;8.74,-12.37,;7.82,-14.89,;6.64,-15.87,;5.19,-15.33,;3.98,-22.95,;3.98,-24.49,;3.97,-26.03,;9.34,-16.81,;21.31,-2.15,;22.64,-2.92,;21.3,-.61,;22.63,.16,;23.97,-.6,;25.31,.18,;22.62,1.69,;23.96,2.48,;21.28,2.44,)| Show InChI InChI=1S/C54H56N9O16PS/c1-28(2)18-41(53(73)63-43(26-64)50(56)70)61-48(69)25-57-52(72)40(16-17-46(55)67)62-54(74)42(20-29-6-11-35(12-7-29)79-80(75,76)77)60-47(68)21-30-4-3-5-32(19-30)59-51(71)39-22-31(58-27-81)8-13-36(39)49-37-14-9-33(65)23-44(37)78-45-24-34(66)10-15-38(45)49/h3-15,19,22-24,28,40-43,64-65H,16-18,20-21,25-26H2,1-2H3,(H2,55,67)(H2,56,70)(H,57,72)(H,59,71)(H,60,68)(H,61,69)(H,62,74)(H,63,73)(H2,75,76,77)/t40-,41-,42-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276313
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,70.74,(24.63,-.11,;24.6,-1.65,;25.93,-2.45,;23.25,-2.4,;23.23,-3.94,;21.88,-4.69,;20.56,-3.89,;20.59,-2.36,;19.22,-4.64,;17.9,-3.85,;16.55,-4.6,;16.53,-6.14,;15.23,-3.81,;15.26,-2.27,;16.61,-1.51,;16.64,.02,;15.32,.82,;17.98,.77,;13.89,-4.55,;12.57,-3.75,;12.59,-2.21,;11.22,-4.5,;11.2,-6.05,;12.51,-6.83,;12.47,-8.38,;13.81,-9.17,;15.15,-8.42,;16.47,-9.21,;16.45,-10.75,;16.42,-12.29,;18,-10.78,;14.91,-10.73,;15.17,-6.87,;13.85,-6.09,;9.9,-3.71,;8.57,-4.48,;8.57,-6.02,;7.24,-3.71,;5.9,-4.48,;4.57,-3.72,;3.24,-4.49,;1.9,-3.72,;3.24,-6.03,;4.55,-6.8,;4.55,-8.35,;3.22,-9.11,;1.89,-8.34,;1.89,-6.81,;.01,-6.12,;-1,-7.31,;-.47,-8.75,;-1.46,-9.93,;-2.97,-9.66,;-3.97,-10.84,;-3.49,-8.21,;-2.51,-7.04,;-3.05,-5.59,;-2.04,-4.41,;-2.57,-2.96,;-1.59,-1.78,;-2.11,-.34,;-.06,-2.05,;.47,-3.49,;-.53,-4.68,;5.89,-9.12,;7.22,-9.89,;8.56,-10.66,;24.55,-4.73,;24.52,-6.28,;25.9,-3.98,;27.21,-4.78,;27.19,-6.32,;28.52,-7.12,;28.55,-4.04,;29.88,-4.83,;28.57,-2.5,)| Show InChI InChI=1S/C49H54N9O16PS/c1-25(2)17-36(48(68)58-38(23-59)45(51)65)56-43(64)22-53-47(67)35(13-14-41(50)62)57-49(69)37(18-26-3-8-30(9-4-26)74-75(70,71)72)55-42(63)15-16-52-46(66)34-19-27(54-24-76)5-10-31(34)44-32-11-6-28(60)20-39(32)73-40-21-29(61)7-12-33(40)44/h3-12,19-21,25,35-38,59-60H,13-18,22-23H2,1-2H3,(H2,50,62)(H2,51,65)(H,52,66)(H,53,67)(H,55,63)(H,56,64)(H,57,69)(H,58,68)(H2,70,71,72)/t35-,36-,37-,38-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276316
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,73.77,(21.12,8.82,;22.44,8.03,;23.79,8.77,;22.41,6.46,;23.73,5.68,;23.71,4.15,;22.36,3.4,;21.04,4.19,;22.34,1.87,;20.99,1.12,;20.98,-.42,;22.29,-1.21,;19.63,-1.16,;18.3,-.37,;18.33,1.17,;17.01,1.96,;15.66,1.22,;17.03,3.5,;19.6,-2.7,;18.25,-3.45,;16.93,-2.66,;18.23,-4.99,;19.55,-5.78,;20.89,-5.03,;22.21,-5.84,;23.56,-5.07,;23.59,-3.54,;24.93,-2.79,;26.25,-3.58,;27.57,-4.37,;27.05,-2.25,;25.46,-4.89,;22.25,-2.75,;20.91,-3.5,;16.88,-5.73,;15.55,-4.97,;15.55,-3.43,;14.22,-5.74,;12.88,-4.98,;11.55,-5.75,;10.22,-4.98,;8.88,-5.75,;7.55,-4.98,;6.22,-5.75,;4.88,-4.99,;6.22,-7.3,;7.53,-8.07,;7.53,-9.61,;6.2,-10.38,;4.87,-9.61,;4.87,-8.07,;2.99,-7.39,;1.98,-8.58,;2.51,-10.02,;1.52,-11.2,;.01,-10.93,;-.99,-12.1,;-.52,-9.48,;.47,-8.31,;-.07,-6.85,;.94,-5.68,;.41,-4.23,;1.39,-3.05,;.87,-1.61,;2.92,-3.32,;3.45,-4.76,;2.45,-5.95,;8.87,-10.39,;10.2,-11.15,;11.53,-11.93,;25.08,6.44,;26.4,5.63,;25.1,7.98,;26.45,8.72,;27.77,7.94,;29.13,8.69,;26.47,10.25,;27.83,11.01,;25.15,11.03,)| Show InChI InChI=1S/C52H60N9O16PS/c1-28(2)20-39(51(71)61-41(26-62)48(54)68)59-46(67)25-56-50(70)38(17-18-44(53)65)60-52(72)40(21-29-7-12-33(13-8-29)77-78(73,74)75)58-45(66)6-4-3-5-19-55-49(69)37-22-30(57-27-79)9-14-34(37)47-35-15-10-31(63)23-42(35)76-43-24-32(64)11-16-36(43)47/h7-16,22-24,28,38-41,62-63H,3-6,17-21,25-26H2,1-2H3,(H2,53,65)(H2,54,68)(H,55,69)(H,56,70)(H,58,66)(H,59,67)(H,60,72)(H,61,71)(H2,73,74,75)/t38-,39-,40-,41-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276327
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1cccc(CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)c1)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,75.80,(16.43,-1.43,;17.76,-2.19,;19.1,-1.43,;17.77,-3.74,;19.1,-4.5,;19.11,-6.04,;17.78,-6.82,;16.44,-6.06,;17.79,-8.35,;16.45,-9.13,;16.47,-10.67,;17.8,-11.43,;15.13,-11.44,;13.8,-10.67,;13.79,-9.13,;12.45,-8.37,;11.12,-9.14,;12.45,-6.83,;15.14,-12.98,;13.8,-13.75,;12.46,-12.99,;13.81,-15.29,;15.15,-16.06,;16.48,-15.28,;17.81,-16.06,;19.15,-15.27,;19.14,-13.74,;20.47,-12.96,;21.81,-13.72,;23.14,-14.49,;22.58,-12.38,;21.04,-15.06,;17.79,-12.97,;16.46,-13.75,;12.48,-16.07,;11.14,-15.3,;11.14,-13.76,;9.8,-16.08,;9.83,-17.63,;8.52,-18.42,;7.18,-17.68,;7.13,-16.14,;5.79,-15.37,;5.8,-13.83,;4.47,-13.06,;4.47,-11.51,;3.13,-13.82,;3.12,-15.35,;1.77,-16.12,;.45,-15.34,;.45,-13.8,;1.79,-13.04,;1.8,-11.03,;.34,-10.49,;-.84,-11.48,;-2.28,-10.94,;-2.54,-9.42,;-3.99,-8.88,;-1.35,-8.44,;.08,-8.97,;1.27,-7.98,;2.72,-8.53,;3.9,-7.54,;5.35,-8.07,;6.53,-7.08,;5.61,-9.6,;4.43,-10.58,;2.98,-10.05,;1.77,-17.66,;1.76,-19.2,;1.76,-20.74,;8.45,-15.34,;20.44,-3.72,;21.78,-4.5,;20.43,-2.18,;21.76,-1.42,;23.1,-2.17,;24.44,-1.4,;21.75,.11,;23.09,.9,;20.41,.87,)| Show InChI InChI=1S/C54H56N9O16PS/c1-28(2)18-41(53(73)63-43(26-64)49(56)69)60-47(68)25-58-52(72)40(16-17-46(55)67)61-54(74)42(20-29-6-11-35(12-7-29)79-80(75,76)77)62-50(70)31-5-3-4-30(19-31)24-57-51(71)39-21-32(59-27-81)8-13-36(39)48-37-14-9-33(65)22-44(37)78-45-23-34(66)10-15-38(45)48/h3-15,19,21-23,28,40-43,64-65H,16-18,20,24-26H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,71)(H,58,72)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H2,75,76,77)/t40-,41-,42-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276323
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C1CN(C1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,71.76,(13.14,1.43,;14.47,.67,;15.81,1.44,;14.48,-.88,;15.82,-1.64,;15.82,-3.18,;14.49,-3.96,;13.16,-3.2,;14.5,-5.49,;13.17,-6.26,;13.18,-7.8,;14.52,-8.57,;11.85,-8.58,;10.51,-7.81,;10.5,-6.27,;9.17,-5.51,;7.84,-6.28,;9.16,-3.97,;11.85,-10.12,;10.52,-10.89,;9.18,-10.12,;10.53,-12.43,;11.87,-13.2,;13.19,-12.42,;14.52,-13.2,;15.86,-12.41,;15.85,-10.87,;17.18,-10.09,;18.52,-10.86,;19.86,-11.62,;19.29,-9.51,;17.76,-12.19,;14.51,-10.11,;13.18,-10.89,;9.19,-13.2,;7.86,-12.44,;7.86,-10.9,;6.53,-13.21,;6.13,-14.7,;4.65,-14.3,;5.04,-12.82,;3.31,-15.08,;1.98,-14.31,;3.31,-16.62,;4.63,-17.39,;4.63,-18.94,;3.29,-19.7,;1.96,-18.93,;1.97,-17.39,;.09,-16.71,;-.92,-17.9,;-.39,-19.34,;-1.38,-20.52,;-2.9,-20.25,;-3.89,-21.43,;-3.42,-18.8,;-2.43,-17.63,;-2.97,-16.17,;-1.96,-15,;-2.49,-13.55,;-1.51,-12.37,;-2.04,-10.93,;.02,-12.64,;.54,-14.08,;-.45,-15.27,;5.97,-19.71,;7.3,-20.48,;8.64,-21.25,;17.15,-.86,;18.49,-1.64,;17.14,.68,;18.48,1.45,;19.81,.69,;21.16,1.47,;18.47,2.97,;19.81,3.76,;17.13,3.73,)| Show InChI InChI=1S/C50H54N9O16PS/c1-25(2)15-37(48(68)58-39(23-60)45(52)65)55-43(64)20-53-47(67)36(13-14-42(51)63)56-49(69)38(16-26-3-8-31(9-4-26)75-76(71,72)73)57-46(66)27-21-59(22-27)50(70)35-17-28(54-24-77)5-10-32(35)44-33-11-6-29(61)18-40(33)74-41-19-30(62)7-12-34(41)44/h3-12,17-19,25,27,36-39,60-61H,13-16,20-23H2,1-2H3,(H2,51,63)(H2,52,65)(H,53,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H2,71,72,73)/t36-,37-,38-,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276314
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,71.75,(14.62,9.76,;15.95,9,;17.28,9.78,;15.96,7.45,;17.29,6.68,;17.3,5.14,;15.97,4.37,;14.64,5.13,;15.98,2.84,;14.64,2.06,;14.66,.52,;15.99,-.24,;13.32,-.25,;11.99,.52,;11.98,2.06,;10.65,2.82,;9.31,2.05,;10.64,4.36,;13.33,-1.79,;11.99,-2.56,;10.66,-1.8,;12,-4.1,;13.34,-4.87,;14.67,-4.09,;16,-4.87,;17.34,-4.08,;17.33,-2.54,;18.66,-1.77,;19.99,-2.53,;21.33,-3.3,;20.77,-1.18,;19.23,-3.86,;15.98,-1.78,;14.66,-2.56,;10.67,-4.87,;9.34,-4.11,;9.33,-2.57,;8,-4.88,;6.67,-4.12,;5.34,-4.89,;4,-4.12,;2.67,-4.89,;1.33,-4.12,;2.67,-6.43,;3.99,-7.2,;3.99,-8.75,;2.65,-9.52,;1.32,-8.75,;1.33,-7.21,;-.56,-6.53,;-1.56,-7.71,;-1.03,-9.15,;-2.03,-10.33,;-3.54,-10.06,;-4.54,-11.24,;-4.06,-8.61,;-3.08,-7.44,;-3.62,-5.99,;-2.6,-4.81,;-3.14,-3.37,;-2.16,-2.19,;-2.68,-.74,;-.63,-2.46,;-.1,-3.89,;-1.09,-5.08,;5.32,-9.52,;6.65,-10.29,;7.99,-11.06,;18.63,7.46,;19.96,6.69,;18.62,9.01,;19.95,9.78,;21.29,9.02,;22.63,9.79,;19.94,11.31,;21.28,12.09,;18.6,12.07,)| Show InChI InChI=1S/C50H56N9O16PS/c1-26(2)18-37(49(69)59-39(24-60)46(52)66)57-44(65)23-54-48(68)36(15-16-42(51)63)58-50(70)38(19-27-5-10-31(11-6-27)75-76(71,72)73)56-43(64)4-3-17-53-47(67)35-20-28(55-25-77)7-12-32(35)45-33-13-8-29(61)21-40(33)74-41-22-30(62)9-14-34(41)45/h5-14,20-22,26,36-39,60-61H,3-4,15-19,23-24H2,1-2H3,(H2,51,63)(H2,52,66)(H,53,67)(H,54,68)(H,56,64)(H,57,65)(H,58,70)(H,59,69)(H2,71,72,73)/t36-,37-,38-,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276317
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:78.82,wD:70.74,57.61,41.44,4.4,(14.97,-20.33,;14.97,-18.79,;16.31,-18.02,;13.64,-18.03,;13.64,-16.48,;12.3,-15.71,;10.98,-16.47,;10.98,-18.01,;9.64,-15.7,;8.31,-16.47,;6.98,-15.7,;5.64,-16.47,;4.31,-15.7,;5.64,-18.01,;6.96,-18.78,;6.97,-20.32,;5.63,-21.09,;4.3,-20.33,;4.3,-18.79,;2.42,-18.1,;1.42,-19.29,;1.95,-20.73,;.95,-21.91,;-.56,-21.64,;-1.56,-22.81,;-1.08,-20.19,;-.1,-19.02,;-.63,-17.57,;.38,-16.39,;-.15,-14.94,;.83,-13.76,;.3,-12.32,;2.36,-14.04,;2.88,-15.47,;1.89,-16.66,;8.3,-21.09,;9.63,-21.87,;10.97,-22.64,;14.97,-15.71,;16.3,-16.48,;14.97,-14.17,;16.3,-13.4,;17.64,-14.17,;18.97,-13.4,;20.3,-14.18,;21.64,-13.39,;21.63,-11.84,;22.96,-11.07,;24.28,-11.84,;25.62,-12.61,;25.05,-10.5,;23.53,-13.16,;20.28,-11.09,;18.96,-11.87,;16.3,-11.86,;14.97,-11.09,;17.63,-11.09,;17.63,-9.55,;18.96,-8.78,;18.96,-7.24,;20.29,-6.47,;21.62,-7.23,;20.29,-4.93,;16.3,-8.78,;14.96,-9.55,;16.29,-7.24,;14.96,-6.48,;14.96,-4.94,;16.29,-4.17,;13.62,-4.17,;13.63,-2.63,;14.96,-1.86,;14.96,-.31,;16.27,.45,;13.62,.46,;12.29,-1.86,;10.96,-2.63,;12.29,-.32,;10.95,.45,;9.62,-.32,;8.28,.45,;10.95,1.99,;9.61,2.76,;12.28,2.76,)| Show InChI InChI=1S/C55H65N10O17PS/c1-28(2)19-40(61-47(70)17-18-58-51(73)38-22-31(60-27-84)7-12-35(38)49-36-13-8-32(67)23-44(36)81-45-24-33(68)9-14-37(45)49)53(75)64-42(21-30-5-10-34(11-6-30)82-83(78,79)80)55(77)63-39(15-16-46(56)69)52(74)59-25-48(71)62-41(20-29(3)4)54(76)65-43(26-66)50(57)72/h5-14,22-24,28-29,39-43,66-67H,15-21,25-26H2,1-4H3,(H2,56,69)(H2,57,72)(H,58,73)(H,59,74)(H,61,70)(H,62,71)(H,63,77)(H,64,75)(H,65,76)(H2,78,79,80)/t39-,40-,41-,42-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276318
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:79.83,wD:71.75,58.62,42.45,4.4,(9.46,-13.03,;10.8,-12.27,;12.13,-13.06,;10.82,-10.73,;12.16,-9.97,;12.19,-8.44,;10.86,-7.67,;10.86,-6.13,;9.52,-8.44,;8.19,-7.67,;6.85,-8.44,;5.52,-7.66,;4.19,-8.43,;2.86,-7.66,;4.19,-9.98,;5.51,-10.74,;5.51,-12.29,;4.18,-13.06,;2.85,-12.29,;2.85,-10.75,;.97,-10.07,;-.04,-11.25,;.49,-12.7,;-.5,-13.88,;-2.02,-13.6,;-3.01,-14.78,;-2.54,-12.16,;-1.55,-10.99,;-2.09,-9.53,;-1.08,-8.35,;-1.61,-6.91,;-.63,-5.73,;-1.15,-4.28,;.91,-6,;1.43,-7.44,;.44,-8.63,;6.85,-13.06,;8.18,-13.83,;9.51,-14.6,;13.49,-10.76,;13.47,-12.3,;14.83,-10,;16.15,-10.79,;16.14,-12.33,;17.46,-13.11,;17.44,-14.65,;18.79,-15.43,;20.12,-14.66,;21.45,-15.45,;21.43,-16.98,;21.41,-18.52,;22.98,-16.99,;19.91,-16.97,;20.12,-13.12,;18.79,-12.35,;17.49,-10.03,;17.51,-8.49,;18.82,-10.81,;20.16,-10.05,;21.49,-10.84,;22.83,-10.08,;24.15,-10.86,;24.14,-12.4,;25.49,-10.1,;20.18,-8.52,;18.85,-7.73,;21.52,-7.76,;21.53,-6.22,;22.87,-5.46,;24.19,-6.25,;22.89,-3.92,;24.23,-3.17,;25.56,-3.95,;26.9,-3.19,;28.21,-3.97,;26.92,-1.65,;24.25,-1.63,;22.92,-.84,;25.59,-.87,;25.61,.67,;24.28,1.45,;24.29,3,;26.95,1.42,;26.96,2.97,;28.27,.64,)| Show InChI InChI=1S/C56H67N10O17PS/c1-29(2)20-41(62-48(71)6-5-19-59-52(74)39-23-32(61-28-85)9-14-36(39)50-37-15-10-33(68)24-45(37)82-46-25-34(69)11-16-38(46)50)54(76)65-43(22-31-7-12-35(13-8-31)83-84(79,80)81)56(78)64-40(17-18-47(57)70)53(75)60-26-49(72)63-42(21-30(3)4)55(77)66-44(27-67)51(58)73/h7-16,23-25,29-30,40-44,67-68H,5-6,17-22,26-27H2,1-4H3,(H2,57,70)(H2,58,73)(H,59,74)(H,60,75)(H,62,71)(H,63,72)(H,64,78)(H,65,76)(H,66,77)(H2,79,80,81)/t40-,41-,42-,43-,44-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276321
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CC(O)CNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,72.76,(17.8,-.47,;19.14,-1.23,;20.47,-.47,;19.14,-2.78,;20.48,-3.54,;20.49,-5.08,;19.16,-5.86,;17.82,-5.1,;19.16,-7.39,;17.83,-8.17,;17.84,-9.71,;19.18,-10.47,;16.51,-10.48,;15.17,-9.71,;15.16,-8.17,;13.83,-7.41,;12.5,-8.18,;13.82,-5.87,;16.51,-12.02,;15.18,-12.79,;13.84,-12.03,;15.19,-14.33,;16.53,-15.1,;17.85,-14.32,;19.19,-15.1,;20.53,-14.31,;20.52,-12.77,;21.84,-12,;23.18,-12.76,;24.52,-13.53,;23.95,-11.42,;22.42,-14.1,;19.17,-12.01,;17.84,-12.79,;13.86,-15.1,;12.52,-14.34,;12.52,-12.8,;11.19,-15.12,;9.85,-14.35,;9.85,-12.81,;8.52,-15.12,;7.18,-14.35,;5.85,-15.12,;4.51,-14.36,;5.85,-16.67,;7.17,-17.44,;7.17,-18.98,;5.83,-19.75,;4.5,-18.98,;4.51,-17.44,;2.62,-16.76,;1.62,-17.95,;2.15,-19.39,;1.16,-20.57,;-.36,-20.3,;-1.36,-21.48,;-.88,-18.85,;.1,-17.68,;-.43,-16.22,;.58,-15.04,;.04,-13.6,;1.02,-12.42,;.5,-10.97,;2.56,-12.69,;3.08,-14.13,;2.09,-15.32,;8.5,-19.76,;9.84,-20.52,;11.17,-21.3,;21.81,-2.76,;23.15,-3.54,;21.81,-1.22,;23.14,-.46,;24.48,-1.21,;25.82,-.44,;23.13,1.07,;24.47,1.86,;21.79,1.83,)| Show InChI InChI=1S/C50H56N9O17PS/c1-25(2)15-37(49(70)59-39(23-60)46(52)67)57-44(66)22-54-48(69)36(13-14-42(51)64)58-50(71)38(16-26-3-8-31(9-4-26)76-77(72,73)74)56-43(65)20-30(63)21-53-47(68)35-17-27(55-24-78)5-10-32(35)45-33-11-6-28(61)18-40(33)75-41-19-29(62)7-12-34(41)45/h3-12,17-19,25,30,36-39,60-61,63H,13-16,20-23H2,1-2H3,(H2,51,64)(H2,52,67)(H,53,68)(H,54,69)(H,56,65)(H,57,66)(H,58,71)(H,59,70)(H2,72,73,74)/t30?,36-,37-,38-,39-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276319
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:80.84,wD:72.76,59.63,43.46,4.4,(13.96,-10.59,;13.94,-9.05,;15.26,-8.26,;12.59,-8.3,;12.57,-6.76,;11.23,-6,;9.9,-6.77,;9.9,-8.31,;8.57,-6,;7.24,-6.77,;5.9,-6,;4.57,-6.77,;3.24,-6,;1.9,-6.77,;.57,-6,;1.9,-8.31,;3.22,-9.08,;3.23,-10.62,;1.89,-11.39,;.56,-10.63,;.56,-9.09,;-1.32,-8.41,;-2.32,-9.59,;-1.79,-11.03,;-2.79,-12.21,;-4.3,-11.94,;-5.3,-13.11,;-4.82,-10.49,;-3.84,-9.32,;-4.37,-7.87,;-3.36,-6.69,;-3.9,-5.25,;-2.91,-4.06,;-3.44,-2.62,;-1.38,-4.34,;-.86,-5.77,;-1.85,-6.96,;4.56,-11.4,;5.89,-12.17,;7.23,-12.94,;13.89,-5.97,;15.24,-6.72,;13.87,-4.43,;15.19,-3.64,;16.54,-4.39,;17.86,-3.6,;19.2,-4.36,;20.53,-3.55,;20.49,-2.01,;21.81,-1.22,;23.15,-1.97,;24.49,-2.71,;23.9,-.61,;22.41,-3.29,;19.13,-1.27,;17.82,-2.07,;15.16,-2.1,;13.82,-1.35,;16.48,-1.31,;16.46,.23,;17.78,1.02,;17.76,2.56,;19.08,3.35,;20.42,2.61,;19.05,4.89,;15.12,.98,;13.79,.19,;15.09,2.52,;13.74,3.26,;13.72,4.8,;15.04,5.59,;12.38,5.55,;12.36,7.09,;13.68,7.89,;13.65,9.43,;14.96,10.22,;12.3,10.19,;11.01,7.85,;9.69,7.05,;10.98,9.39,;9.64,10.14,;8.32,9.34,;6.96,10.11,;9.62,11.67,;8.25,12.43,;10.93,12.46,)| Show InChI InChI=1S/C57H69N10O17PS/c1-30(2)21-42(63-49(72)7-5-6-20-60-53(75)40-24-33(62-29-86)10-15-37(40)51-38-16-11-34(69)25-46(38)83-47-26-35(70)12-17-39(47)51)55(77)66-44(23-32-8-13-36(14-9-32)84-85(80,81)82)57(79)65-41(18-19-48(58)71)54(76)61-27-50(73)64-43(22-31(3)4)56(78)67-45(28-68)52(59)74/h8-17,24-26,30-31,41-45,68-69H,5-7,18-23,27-28H2,1-4H3,(H2,58,71)(H2,59,74)(H,60,75)(H,61,76)(H,63,72)(H,64,73)(H,65,79)(H,66,77)(H,67,78)(H2,80,81,82)/t41-,42-,43-,44-,45-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276322
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](O)CCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,72.76,37.38,(17.8,-.47,;19.14,-1.23,;20.47,-.47,;19.14,-2.78,;20.48,-3.54,;20.49,-5.08,;19.16,-5.86,;17.82,-5.1,;19.16,-7.39,;17.83,-8.17,;17.84,-9.71,;19.18,-10.47,;16.51,-10.48,;15.17,-9.71,;15.16,-8.17,;13.83,-7.41,;12.5,-8.18,;13.82,-5.87,;16.51,-12.02,;15.18,-12.79,;13.84,-12.03,;15.19,-14.33,;16.53,-15.1,;17.85,-14.32,;19.19,-15.1,;20.53,-14.31,;20.52,-12.77,;21.84,-12,;23.18,-12.76,;24.52,-13.53,;23.95,-11.42,;22.42,-14.1,;19.17,-12.01,;17.84,-12.79,;13.86,-15.1,;12.52,-14.34,;12.52,-12.8,;11.19,-15.12,;11.19,-16.66,;9.85,-14.35,;8.52,-15.12,;7.18,-14.35,;5.85,-15.12,;4.51,-14.36,;5.85,-16.67,;7.17,-17.44,;7.17,-18.98,;5.83,-19.75,;4.5,-18.98,;4.51,-17.44,;2.62,-16.76,;1.62,-17.95,;2.15,-19.39,;1.16,-20.57,;-.36,-20.3,;-1.36,-21.48,;-.88,-18.85,;.1,-17.68,;-.43,-16.22,;.58,-15.04,;.04,-13.6,;1.02,-12.42,;.5,-10.97,;2.56,-12.69,;3.08,-14.13,;2.09,-15.32,;8.5,-19.76,;9.84,-20.52,;11.17,-21.3,;21.81,-2.76,;23.15,-3.54,;21.81,-1.22,;23.14,-.46,;24.48,-1.21,;25.82,-.44,;23.13,1.07,;24.47,1.86,;21.79,1.83,)| Show InChI InChI=1S/C50H56N9O17PS/c1-25(2)17-36(48(69)59-38(23-60)45(52)66)56-43(65)22-54-47(68)35(13-14-42(51)64)57-49(70)37(18-26-3-8-30(9-4-26)76-77(72,73)74)58-50(71)39(63)15-16-53-46(67)34-19-27(55-24-78)5-10-31(34)44-32-11-6-28(61)20-40(32)75-41-21-29(62)7-12-33(41)44/h3-12,19-21,25,35-39,60-61,63H,13-18,22-23H2,1-2H3,(H2,51,64)(H2,52,66)(H,53,67)(H,54,68)(H,56,65)(H,57,70)(H,58,71)(H,59,69)(H2,72,73,74)/t35-,36-,37-,38-,39+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276324
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C1CN(CCN1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,73.78,(20.3,.8,;21.63,.04,;22.97,.8,;21.64,-1.51,;22.97,-2.27,;22.98,-3.81,;21.65,-4.59,;20.32,-3.83,;21.66,-6.12,;20.33,-6.89,;20.34,-8.43,;21.68,-9.2,;19.01,-9.21,;17.67,-8.44,;17.66,-6.9,;16.33,-6.14,;15,-6.91,;16.32,-4.6,;19.01,-10.75,;17.68,-11.52,;16.34,-10.76,;17.69,-13.06,;19.03,-13.83,;20.35,-13.05,;21.68,-13.83,;23.02,-13.04,;23.01,-11.5,;24.34,-10.73,;25.68,-11.49,;27.02,-12.26,;26.45,-10.15,;24.92,-12.82,;21.66,-10.74,;20.34,-11.52,;16.35,-13.83,;15.02,-13.07,;15.02,-11.53,;13.68,-13.85,;12.34,-13.08,;11.02,-13.87,;11.03,-15.41,;12.36,-16.17,;13.69,-15.39,;9.68,-13.12,;9.66,-11.57,;8.35,-13.9,;8.36,-15.42,;7.02,-16.21,;5.68,-15.44,;5.67,-13.91,;7,-13.13,;6.63,-11.16,;5.1,-10.9,;4.13,-12.08,;2.61,-11.83,;2.07,-10.38,;.55,-10.12,;3.06,-9.2,;4.57,-9.46,;5.55,-8.25,;7.08,-8.53,;8.05,-7.34,;9.57,-7.58,;10.54,-6.4,;10.11,-9.04,;9.14,-10.22,;7.61,-9.97,;7.03,-17.75,;7.05,-19.29,;7.06,-20.83,;24.31,-1.49,;25.65,-2.27,;24.3,.05,;25.63,.82,;26.97,.06,;28.32,.83,;25.63,2.34,;26.96,3.13,;24.29,3.1,)| Show InChI InChI=1S/C51H57N10O16PS/c1-26(2)17-37(48(69)60-40(24-62)46(53)67)57-44(66)22-55-47(68)36(13-14-43(52)65)58-49(70)38(18-27-3-8-31(9-4-27)77-78(73,74)75)59-50(71)39-23-61(16-15-54-39)51(72)35-19-28(56-25-79)5-10-32(35)45-33-11-6-29(63)20-41(33)76-42-21-30(64)7-12-34(42)45/h3-12,19-21,26,36-40,54,62-63H,13-18,22-24H2,1-2H3,(H2,52,65)(H2,53,67)(H,55,68)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H2,73,74,75)/t36-,37-,38-,39?,40-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276332
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)cc1)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,75.80,(24.22,-5.78,;24.38,-7.31,;25.79,-7.94,;23.13,-8.23,;23.3,-9.76,;21.98,-10.54,;20.63,-9.79,;20.61,-8.26,;19.32,-10.57,;17.97,-9.82,;16.65,-10.61,;16.67,-12.15,;15.31,-9.85,;15.29,-8.31,;16.62,-7.52,;16.6,-5.98,;15.26,-5.22,;17.92,-5.2,;13.98,-10.63,;12.64,-9.87,;12.62,-8.33,;11.32,-10.66,;11.33,-12.21,;12.68,-12.95,;12.68,-14.5,;14.04,-15.25,;15.36,-14.47,;16.7,-15.22,;16.72,-16.76,;16.74,-18.3,;18.27,-16.74,;15.19,-16.78,;15.33,-12.92,;13.99,-12.17,;9.98,-9.9,;9.95,-8.37,;11.28,-7.58,;8.64,-7.56,;7.29,-8.29,;5.98,-7.48,;6.03,-5.94,;4.72,-5.14,;4.76,-3.59,;3.43,-2.82,;3.44,-1.28,;2.09,-3.59,;2.08,-5.11,;.73,-5.88,;-.6,-5.1,;-.59,-3.56,;.75,-2.8,;.76,-.8,;-.69,-.25,;-1.87,-1.23,;-3.32,-.69,;-3.57,.82,;-5.02,1.37,;-2.38,1.8,;-.95,1.27,;.24,2.26,;1.69,1.71,;2.87,2.7,;4.32,2.17,;5.5,3.15,;4.57,.63,;3.4,-.34,;1.94,.19,;.72,-7.42,;.72,-8.96,;.71,-10.5,;7.37,-5.2,;8.69,-6.02,;24.65,-10.51,;24.66,-12.06,;25.97,-9.72,;27.31,-10.48,;27.34,-12.02,;28.69,-12.79,;28.63,-9.7,;29.98,-10.46,;28.59,-8.17,)| Show InChI InChI=1S/C54H56N9O16PS/c1-28(2)19-41(53(73)63-43(26-64)49(56)69)60-47(68)25-58-52(72)40(17-18-46(55)67)61-54(74)42(20-29-5-12-35(13-6-29)79-80(75,76)77)62-50(70)31-7-3-30(4-8-31)24-57-51(71)39-21-32(59-27-81)9-14-36(39)48-37-15-10-33(65)22-44(37)78-45-23-34(66)11-16-38(45)48/h3-16,21-23,28,40-43,64-65H,17-20,24-26H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,71)(H,58,72)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H2,75,76,77)/t40-,41-,42-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276312
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,65.69,(15.84,-20.06,;15.84,-21.59,;17.18,-22.37,;14.51,-22.37,;14.51,-23.9,;13.17,-24.68,;11.84,-23.91,;11.84,-22.37,;10.51,-24.68,;9.18,-23.91,;7.85,-24.69,;7.85,-26.22,;6.51,-23.91,;6.51,-22.37,;7.85,-21.6,;7.85,-20.06,;6.52,-19.29,;9.18,-19.29,;5.18,-24.68,;3.84,-23.91,;3.84,-22.37,;2.51,-24.68,;2.51,-26.22,;3.84,-26.99,;3.83,-28.53,;5.18,-29.3,;6.51,-28.53,;7.84,-29.29,;7.84,-30.84,;7.84,-32.37,;9.4,-30.83,;6.31,-30.84,;6.5,-26.98,;5.16,-26.22,;1.18,-23.91,;-.15,-24.69,;-1.48,-23.92,;-.15,-26.23,;1.17,-27,;1.17,-28.55,;-.17,-29.31,;-1.5,-28.54,;-1.49,-27,;-3.38,-26.32,;-4.38,-27.51,;-3.85,-28.95,;-4.84,-30.13,;-6.36,-29.86,;-7.35,-31.04,;-6.88,-28.41,;-5.89,-27.24,;-6.43,-25.78,;-5.42,-24.61,;-5.95,-23.16,;-4.97,-21.98,;-5.5,-20.54,;-3.44,-22.25,;-2.92,-23.69,;-3.91,-24.88,;2.5,-29.32,;3.84,-30.08,;5.17,-30.86,;15.84,-24.68,;15.84,-26.22,;17.18,-23.91,;18.51,-24.68,;18.51,-26.22,;19.85,-27,;19.84,-23.91,;21.18,-24.68,;19.84,-22.36,)| Show InChI InChI=1S/C46H49N8O15PS/c1-23(2)15-34(45(63)54-36(21-55)42(48)60)51-40(59)20-49-44(62)33(13-14-39(47)58)52-46(64)35(16-24-3-8-28(9-4-24)69-70(65,66)67)53-43(61)32-17-25(50-22-71)5-10-29(32)41-30-11-6-26(56)18-37(30)68-38-19-27(57)7-12-31(38)41/h3-12,17-19,23,33-36,55-56H,13-16,20-21H2,1-2H3,(H2,47,58)(H2,48,60)(H,49,62)(H,51,59)(H,52,64)(H,53,61)(H,54,63)(H2,65,66,67)/t33-,34-,35-,36-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276329
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C1CCN(CC1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,73.78,(25.77,-10.26,;25.92,-11.79,;27.31,-12.44,;24.66,-12.69,;24.81,-14.22,;23.47,-14.99,;22.13,-14.22,;22.13,-12.69,;20.81,-14.99,;19.48,-14.21,;18.15,-14.99,;18.15,-16.53,;16.81,-14.22,;16.81,-12.67,;18.15,-11.9,;18.15,-10.36,;16.82,-9.59,;19.48,-9.59,;15.48,-14.98,;14.14,-14.21,;14.14,-12.67,;12.81,-14.98,;12.81,-16.53,;14.14,-17.29,;14.13,-18.84,;15.48,-19.61,;16.81,-18.84,;18.14,-19.6,;18.14,-21.15,;18.14,-22.68,;19.7,-21.15,;16.61,-21.14,;16.8,-17.29,;15.46,-16.52,;11.48,-14.21,;11.47,-12.67,;12.81,-11.9,;10.14,-11.89,;8.81,-12.65,;7.49,-11.88,;7.5,-10.35,;8.82,-9.58,;10.15,-10.36,;6.17,-9.58,;6.17,-8.04,;4.83,-10.35,;4.82,-11.87,;3.47,-12.64,;2.14,-11.86,;2.15,-10.33,;3.49,-9.57,;3.5,-7.56,;2.04,-7.01,;.86,-8,;-.59,-7.46,;-.84,-5.95,;-2.29,-5.4,;.35,-4.97,;1.78,-5.5,;2.97,-4.5,;4.42,-5.05,;5.6,-4.06,;7.04,-4.59,;8.23,-3.61,;7.31,-6.12,;6.13,-7.1,;4.67,-6.57,;3.46,-14.19,;3.46,-15.73,;3.45,-17.27,;26.15,-14.99,;26.14,-16.54,;27.48,-14.22,;28.81,-15,;28.81,-16.53,;30.16,-17.31,;30.13,-14.23,;31.48,-15,;30.11,-12.7,)| Show InChI InChI=1S/C52H58N9O16PS/c1-27(2)19-39(50(70)60-41(25-62)47(54)67)57-45(66)24-55-49(69)38(13-14-44(53)65)58-51(71)40(20-28-3-8-33(9-4-28)77-78(73,74)75)59-48(68)29-15-17-61(18-16-29)52(72)37-21-30(56-26-79)5-10-34(37)46-35-11-6-31(63)22-42(35)76-43-23-32(64)7-12-36(43)46/h3-12,21-23,27,29,38-41,62-63H,13-20,24-25H2,1-2H3,(H2,53,65)(H2,54,67)(H,55,69)(H,57,66)(H,58,71)(H,59,68)(H,60,70)(H2,73,74,75)/t38-,39-,40-,41-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276325
(CHEMBL501747 | trans-4-((2S,5S,11S,14S)-1-amino-11...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)CC1)C(=O)N[C@@H](CO)C(N)=O |r,wU:40.41,4.4,12.17,wD:21.34,75.80,37.37,(19.49,1.09,;20.82,.33,;22.16,1.09,;20.83,-1.22,;22.16,-1.99,;22.17,-3.53,;20.84,-4.3,;19.51,-3.54,;20.85,-5.83,;19.52,-6.61,;19.53,-8.15,;20.87,-8.91,;18.2,-8.92,;16.86,-8.15,;16.85,-6.61,;15.52,-5.85,;14.19,-6.62,;15.51,-4.31,;18.2,-10.46,;16.87,-11.23,;15.53,-10.47,;16.87,-12.77,;18.21,-13.54,;19.54,-12.76,;20.87,-13.54,;22.21,-12.75,;22.2,-11.21,;23.53,-10.44,;24.87,-11.2,;26.2,-11.97,;25.64,-9.86,;24.11,-12.53,;20.85,-10.45,;19.53,-11.23,;15.54,-13.54,;14.21,-12.78,;14.2,-11.24,;12.86,-13.56,;11.51,-12.82,;10.19,-13.62,;10.24,-15.16,;8.93,-15.96,;8.96,-17.5,;7.65,-18.3,;6.29,-17.56,;7.68,-19.84,;9.02,-20.58,;9.05,-22.13,;7.73,-22.93,;6.39,-22.19,;6.36,-20.65,;4.46,-20.01,;3.48,-21.22,;4.04,-22.65,;3.08,-23.85,;1.56,-23.61,;.59,-24.82,;1,-22.18,;1.96,-20.99,;1.39,-19.54,;2.37,-18.34,;1.81,-16.91,;2.76,-15.71,;2.2,-14.28,;4.3,-15.94,;4.85,-17.37,;3.89,-18.58,;10.4,-22.87,;11.76,-23.61,;13.11,-24.35,;11.58,-15.9,;12.89,-15.1,;23.5,-1.2,;24.84,-1.98,;23.49,.34,;24.82,1.1,;26.16,.34,;27.5,1.12,;24.81,2.63,;26.15,3.41,;23.47,3.39,)| Show InChI InChI=1S/C54H62N9O16PS/c1-28(2)19-41(53(73)63-43(26-64)49(56)69)60-47(68)25-58-52(72)40(17-18-46(55)67)61-54(74)42(20-29-5-12-35(13-6-29)79-80(75,76)77)62-50(70)31-7-3-30(4-8-31)24-57-51(71)39-21-32(59-27-81)9-14-36(39)48-37-15-10-33(65)22-44(37)78-45-23-34(66)11-16-38(45)48/h5-6,9-16,21-23,28,30-31,40-43,64-65H,3-4,7-8,17-20,24-26H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,71)(H,58,72)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H2,75,76,77)/t30-,31-,40-,41-,42-,43-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276326
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(NC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)cc1)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,74.79,(16.86,.39,;18.2,-.37,;19.53,.39,;18.21,-1.92,;19.54,-2.69,;19.55,-4.23,;18.22,-5.01,;16.88,-4.24,;18.23,-6.54,;16.89,-7.31,;16.91,-8.85,;18.24,-9.61,;15.57,-9.62,;14.23,-8.86,;14.23,-7.31,;12.89,-6.55,;11.56,-7.32,;12.88,-5.01,;15.57,-11.16,;14.24,-11.94,;12.9,-11.17,;14.25,-13.48,;15.59,-14.24,;16.91,-13.47,;18.25,-14.25,;19.59,-13.46,;19.58,-11.92,;20.91,-11.14,;22.25,-11.91,;23.58,-12.67,;23.02,-10.56,;21.48,-13.24,;18.23,-11.16,;16.9,-11.94,;12.92,-14.25,;11.58,-13.49,;11.58,-11.95,;10.24,-14.27,;10.27,-15.81,;8.96,-16.6,;7.61,-15.86,;6.28,-16.64,;4.94,-15.87,;4.94,-14.33,;3.61,-16.64,;3.6,-18.17,;2.26,-18.94,;.93,-18.17,;.93,-16.63,;2.26,-15.87,;2.26,-13.86,;.8,-13.32,;-.37,-14.32,;-1.82,-13.79,;-2.09,-12.27,;-3.54,-11.74,;-.9,-11.29,;.53,-11.81,;1.72,-10.81,;3.17,-11.35,;4.34,-10.36,;5.79,-10.87,;6.97,-9.89,;6.06,-12.41,;4.89,-13.39,;3.43,-12.87,;2.26,-20.49,;2.27,-22.03,;2.27,-23.57,;7.56,-14.32,;8.89,-13.53,;20.88,-1.91,;22.21,-2.68,;20.87,-.36,;22.2,.4,;23.54,-.36,;24.88,.42,;22.19,1.93,;23.53,2.71,;20.85,2.69,)| Show InChI InChI=1S/C53H54N9O16PS/c1-27(2)19-40(52(72)62-42(25-63)48(55)68)59-46(67)24-56-51(71)39(17-18-45(54)66)60-53(73)41(20-28-3-12-34(13-4-28)78-79(74,75)76)61-49(69)29-5-7-30(8-6-29)58-50(70)38-21-31(57-26-80)9-14-35(38)47-36-15-10-32(64)22-43(36)77-44-23-33(65)11-16-37(44)47/h3-16,21-23,27,39-42,63-64H,17-20,24-25H2,1-2H3,(H2,54,66)(H2,55,68)(H,56,71)(H,58,70)(H,59,67)(H,60,73)(H,61,69)(H,62,72)(H2,74,75,76)/t39-,40-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.39E+4 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276330
(CHEMBL454258 | trans-4-((2S,5S,11S,14S)-1-amino-11...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,40.44,wD:21.34,74.79,37.37,(26.4,-8.77,;26.55,-10.3,;27.95,-10.95,;25.29,-11.2,;25.44,-12.73,;24.11,-13.5,;22.77,-12.73,;22.77,-11.2,;21.45,-13.5,;20.12,-12.72,;18.78,-13.5,;18.78,-15.04,;17.45,-12.73,;17.45,-11.19,;18.79,-10.41,;18.79,-8.88,;17.46,-8.1,;20.12,-8.11,;16.11,-13.49,;14.78,-12.72,;14.78,-11.18,;13.45,-13.49,;13.45,-15.04,;14.78,-15.8,;14.76,-17.35,;16.11,-18.12,;17.45,-17.34,;18.78,-18.11,;18.78,-19.65,;18.78,-21.19,;20.33,-19.65,;17.25,-19.65,;17.44,-15.79,;16.1,-15.03,;12.12,-12.72,;12.11,-11.18,;13.45,-10.41,;10.81,-10.36,;10.88,-8.81,;9.57,-7.99,;8.22,-8.71,;8.15,-10.25,;9.45,-11.07,;6.92,-7.89,;6.98,-6.36,;8.34,-5.64,;5.67,-5.53,;4.32,-6.24,;3.01,-5.41,;3.07,-3.87,;4.43,-3.16,;5.73,-3.98,;7.5,-3.05,;7.3,-1.51,;5.88,-.93,;5.67,.6,;6.89,1.54,;6.69,3.07,;8.32,.95,;8.52,-.57,;9.96,-1.15,;10.15,-2.69,;11.58,-3.26,;11.79,-4.79,;13.21,-5.37,;10.56,-5.74,;9.14,-5.16,;8.93,-3.62,;1.64,-6.13,;.28,-6.85,;-1.09,-7.57,;26.78,-13.5,;26.77,-15.05,;28.12,-12.73,;29.44,-13.51,;29.45,-15.04,;30.79,-15.82,;30.77,-12.74,;32.11,-13.51,;30.75,-11.21,)| Show InChI InChI=1S/C53H60N9O16PS/c1-27(2)19-40(52(72)62-42(25-63)48(55)68)59-46(67)24-56-51(71)39(17-18-45(54)66)60-53(73)41(20-28-3-12-34(13-4-28)78-79(74,75)76)61-49(69)29-5-7-30(8-6-29)58-50(70)38-21-31(57-26-80)9-14-35(38)47-36-15-10-32(64)22-43(36)77-44-23-33(65)11-16-37(44)47/h3-4,9-16,21-23,27,29-30,39-42,63-64H,5-8,17-20,24-25H2,1-2H3,(H2,54,66)(H2,55,68)(H,56,71)(H,58,70)(H,59,67)(H,60,73)(H,61,69)(H,62,72)(H2,74,75,76)/t29-,30-,39-,40-,41-,42-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.54E+4 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
SHC-transforming protein 1
(Homo sapiens (Human)) | BDBM50276320
(4-((2S,5S,11S,14S)-14-(5-acetamidopentanamido)-1-a...)Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCCCNC(C)=O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C32H51N8O13P/c1-18(2)14-23(31(48)40-25(17-41)29(34)46)38-28(45)16-36-30(47)22(11-12-26(33)43)39-32(49)24(37-27(44)6-4-5-13-35-19(3)42)15-20-7-9-21(10-8-20)53-54(50,51)52/h7-10,18,22-25,41H,4-6,11-17H2,1-3H3,(H2,33,43)(H2,34,46)(H,35,42)(H,36,47)(H,37,44)(H,38,45)(H,39,49)(H,40,48)(H2,50,51,52)/t22-,23-,24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.58E+5 | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f... |
J Med Chem 52: 1612-8 (2009)
Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ |
More data for this
Ligand-Target Pair | |
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