Found 65 hits of kd data for polymerid = 50006227 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 |
|---|
GTPase KRas
(Homo sapiens (Human)) | BDBM50579601
(CHEMBL4858364 | US11453683, Example 252 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | <0.000200 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00099
BindingDB Entry DOI: 10.7270/Q25B06J8 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of BODIPY-FL-GD from human KRAS G12D (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited, 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His/AVi-tagged biotinylated GTPase KRas G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21 (DE3)... |
ACS Med Chem Lett 8: 732-736 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00128
BindingDB Entry DOI: 10.7270/Q2V40XNF |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to KRAS G12D mutant (unknown origin) using FAM-labelled peptide as substrate in presence of Tween20 by fluorescence polarization ass... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00022
BindingDB Entry DOI: 10.7270/Q26W9FSJ |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of BODIPY-FL-GD from human KRAS G12C (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579095
(CHEMBL4851139)Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GppNHp bound His6-tagged KRas G12V mutant (unknown origin) incubated for 1 hr by fluorescence polarization |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to KRAS G12D mutant (unknown origin) assessed as dissociation constant by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00022
BindingDB Entry DOI: 10.7270/Q26W9FSJ |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579093
(CHEMBL4866632)Show SMILES CCCCCCC[C@@H]1NC(=O)[C@@H]2CSCCCSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](CO)NC1=O)C(=O)NCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC)C(=O)N2 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to recombinant human KRAS G12D mutant incubated for 0.5 hrs by ELISA |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50604229
(CHEMBL5205540)Show SMILES COc1ccc(cc1-c1cc2c(ncnc2s1)N1CC2CCC(C1)N2)C(F)(F)F |TLB:11:17:24:20.21| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114243
BindingDB Entry DOI: 10.7270/Q25T3QKW |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited, 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His/AVi-tagged biotinylated GTPase KRas G12C mutant expressed in Escherichia coli BL21 (DE3) in presence of GDP ... |
ACS Med Chem Lett 8: 732-736 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00128
BindingDB Entry DOI: 10.7270/Q2V40XNF |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579095
(CHEMBL4851139)Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GTPgammaS bound His6-tagged KRas G12V mutant (unknown origin) incubated for 1 hr by fluorescence polarization |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of BODIPY-FL-GD from human wild type KRAS (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50520327
(CHEMBL4456044)Show SMILES COc1nc(ccc1Nc1ccc(CN(C)C)cc1)-c1cccc2OCCOc12 Show InChI InChI=1S/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GST-tagged GppNHp bound KRas G12V mutant (unknown origin) expressed in Escherichia coli C41(DE3) by 1H-CPMG NMR spectroscopy |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited, 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.
Curated by ChEMBL
| Assay Description
Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GDP by SPR as... |
ACS Med Chem Lett 8: 732-736 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00128
BindingDB Entry DOI: 10.7270/Q2V40XNF |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590848
(CHEMBL5191782)Show SMILES COc1ccc(Cl)cc1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O |(-6.36,-2.29,;-5.03,-3.06,;-5.03,-4.6,;-6.36,-5.38,;-6.35,-6.91,;-5.02,-7.68,;-5.02,-9.22,;-3.69,-6.92,;-3.69,-5.38,;-2.35,-4.61,;-2.35,-3.06,;-3.69,-2.29,;-1.02,-2.29,;.31,-3.06,;1.64,-2.29,;2.97,-3.06,;2.98,-4.59,;1.65,-5.37,;.31,-4.6,;-1.02,-5.37,;-1.02,-6.91,;1.64,-.75,;.31,.02,;.31,1.56,;1.64,2.33,;2.97,1.56,;2.97,.02,;1.64,3.87,;.31,4.64,;2.97,4.64,;4.43,4.18,;5.35,5.43,;4.47,6.65,;2.97,6.18,;4.87,8.13,;6.36,8.53,;3.78,9.22,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116962
BindingDB Entry DOI: 10.7270/Q28D017S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579094
(CHEMBL4867496)Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)NCCC(=O)NCCC(=O)NC(CCCCN)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GppNHp bound His6-tagged KRas G12V mutant (1 to 186 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50585381
(CHEMBL5080840)Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@H]3CCCN3C)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human AviTEV6His-tagged KRAS isoform 4B wild type (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01688
BindingDB Entry DOI: 10.7270/Q2TM7G15 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited, 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.
Curated by ChEMBL
| Assay Description
Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR as... |
ACS Med Chem Lett 8: 732-736 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00128
BindingDB Entry DOI: 10.7270/Q2V40XNF |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited, 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.
Curated by ChEMBL
| Assay Description
Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR as... |
ACS Med Chem Lett 8: 732-736 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00128
BindingDB Entry DOI: 10.7270/Q2V40XNF |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579095
(CHEMBL4851139)Show SMILES C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CCCN)NC(=O)[C@@H]1CNC(=O)c2cc3cc(c2)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc4ccccc4c2)C(=O)N[C@@H](c2ccccc2)C(=O)N[C@@H](CCCCNC3=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GDP bound His6-tagged KRas G12V mutant (unknown origin) incubated for 1 hr by fluorescence polarization |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50242325
(CHEMBL4072295)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C108H182N44O25S2/c1-8-56(6)81-98(175)146-74(51-153)93(170)143-71(48-58-29-33-60(155)34-30-58)91(168)145-73(50-79(157)158)99(176)151-45-18-28-78(151)96(173)149-80(55(4)5)97(174)147-75(94(171)141-68(25-15-43-132-107(122)123)88(165)139-66(23-13-41-130-105(118)119)86(163)137-64(21-11-39-128-103(114)115)84(161)135-62(82(109)159)19-9-37-126-101(110)111)52-178-179-53-76(100(177)152-46-17-27-77(152)95(172)144-70(47-54(2)3)90(167)142-72(92(169)150-81)49-59-31-35-61(156)36-32-59)148-89(166)69(26-16-44-133-108(124)125)140-87(164)67(24-14-42-131-106(120)121)138-85(162)65(22-12-40-129-104(116)117)136-83(160)63(134-57(7)154)20-10-38-127-102(112)113/h29-36,54-56,62-78,80-81,153,155-156H,8-28,37-53H2,1-7H3,(H2,109,159)(H,134,154)(H,135,161)(H,136,160)(H,137,163)(H,138,162)(H,139,165)(H,140,164)(H,141,171)(H,142,167)(H,143,170)(H,144,172)(H,145,168)(H,146,175)(H,147,174)(H,148,166)(H,149,173)(H,150,169)(H,157,158)(H4,110,111,126)(H4,112,113,127)(H4,114,115,128)(H4,116,117,129)(H4,118,119,130)(H4,120,121,131)(H4,122,123,132)(H4,124,125,133)/t56-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited, 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal His/AVi-tagged biotinylated GTPase KRas G12C mutant expressed in Escherichia coli BL21 (DE3) in presence of GTP ... |
ACS Med Chem Lett 8: 732-736 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00128
BindingDB Entry DOI: 10.7270/Q2V40XNF |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50561645
(CHEMBL4760058)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O |r,t:67| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild type KRAS (unknown origin) using FAM-labelled peptide as substrate in absence of Tween20 by fluorescence polarization assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00022
BindingDB Entry DOI: 10.7270/Q26W9FSJ |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50561645
(CHEMBL4760058)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O |r,t:67| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to KRAS G12D mutant (unknown origin) using FAM-labelled peptide as substrate in absence of Tween20 by fluorescence polarization assa... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00022
BindingDB Entry DOI: 10.7270/Q26W9FSJ |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50585383
(CHEMBL5072416)Show SMILES CN1CCC[C@H]1COc1nc(N2CCOCC2)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human AviTEV6His-tagged KRAS isoform 4B wild type (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01688
BindingDB Entry DOI: 10.7270/Q2TM7G15 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50549225
(CHEMBL4750445)Show SMILES Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4[C@H]4NC(=O)c5ccc(O)cc45)cc23)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human GCP-KRAS G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01608
BindingDB Entry DOI: 10.7270/Q25D8WHT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
GTPase KRas
(Homo sapiens (Human)) | BDBM50549225
(CHEMBL4750445)Show SMILES Cn1cnc(Cn2ccc3ccc(CNCc4[nH]c5ccccc5c4[C@H]4NC(=O)c5ccc(O)cc45)cc23)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GTP-KRAS G12D (unknown origin) by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
GTPase KRas
(Homo sapiens (Human)) | BDBM50496837
(CHEMBL3218641)Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O |r| Show InChI InChI=1S/C74H104FN19O13/c1-4-5-20-55-70(106)107-43-74(2,3)61(97)69(105)94-38-12-11-24-58(94)68(104)86-50(32-28-44-16-7-6-8-17-44)42-60(96)87-54(33-34-59(76)95)65(101)89-51(21-13-35-83-71(77)78)62(98)88-52(22-14-36-84-72(79)80)63(99)93-57(41-46-25-29-47-18-9-10-19-48(47)39-46)66(102)90-53(23-15-37-85-73(81)82)64(100)92-56(67(103)91-55)40-45-26-30-49(75)31-27-45/h6-10,16-19,25-27,29-31,39,50-58H,4-5,11-15,20-24,28,32-38,40-43H2,1-3H3,(H2,76,95)(H,86,104)(H,87,96)(H,88,98)(H,89,101)(H,90,102)(H,91,103)(H,92,100)(H,93,99)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t50-,51+,52+,53+,54+,55-,56+,57-,58+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a |
The Ohio State University
Curated by ChEMBL
| Assay Description
Binding affinity to K-Ras G12V mutant (unknown origin) after 2 hrs by fluorescence polarization-based spectrofluorimetric analysis |
Medchemcomm 4: 378-382 (2013)
Article DOI: 10.1039/c2md20329d
BindingDB Entry DOI: 10.7270/Q2CR5X9Q |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50519444
(CHEMBL4567024)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O |r,c:67| Show InChI InChI=1S/C108H169N29O34/c1-12-57(6)84(133-79(144)54-119-88(154)70(47-61-29-19-17-20-30-61)127-94(160)71(48-62-31-21-18-22-32-62)128-90(156)65(35-28-44-117-106(114)115)122-89(155)63(120-60(9)140)34-27-43-116-105(112)113)101(167)137-108(11)41-25-16-14-13-15-24-40-107(10,136-98(164)72(49-76(110)141)129-95(161)73(51-82(149)150)130-100(166)86(59(8)139)135-97(163)68(45-55(2)3)126-96(162)74(52-83(151)152)132-104(108)171)103(170)131-69(46-56(4)5)93(159)123-64(33-23-26-42-109)92(158)134-85(58(7)138)99(165)125-67(37-39-81(147)148)91(157)124-66(36-38-80(145)146)87(153)118-53-78(143)121-75(102(168)169)50-77(111)142/h13-14,17-22,29-32,55-59,63-75,84-86,138-139H,12,15-16,23-28,33-54,109H2,1-11H3,(H2,110,141)(H2,111,142)(H,118,153)(H,119,154)(H,120,140)(H,121,143)(H,122,155)(H,123,159)(H,124,157)(H,125,165)(H,126,162)(H,127,160)(H,128,156)(H,129,161)(H,130,166)(H,131,170)(H,132,171)(H,133,144)(H,134,158)(H,135,163)(H,136,164)(H,137,167)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,168,169)(H4,112,113,116)(H4,114,115,117)/b14-13-/t57-,58+,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,84-,85-,86-,107-,108-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated N-terminal His6-tagged recombinant KRAS G12C mutant (unknown origin) by BLI method |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111844
BindingDB Entry DOI: 10.7270/Q2B27ZPM |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579091
(CHEMBL4849311)Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GTP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs b... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579091
(CHEMBL4849311)Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GppNHp-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hr... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50519443
(CHEMBL4447841)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O |r,c:67| Show InChI InChI=1S/C104H164N28O31/c1-12-56(6)81(128-77(139)53-115-85(147)69(47-60-29-19-17-20-30-60)122-92(154)70(48-61-31-21-18-22-32-61)123-87(149)64(35-28-44-113-102(110)111)118-86(148)62(116-59(9)135)34-27-43-112-101(108)109)97(159)132-104(11)41-25-16-14-13-15-24-40-103(10,131-94(156)71(49-74(106)136)125-96(158)83(58(8)134)130-93(155)72(51-80(144)145)124-91(153)68(46-55(4)5)127-100(104)163)99(162)126-67(45-54(2)3)90(152)119-63(33-23-26-42-105)89(151)129-82(57(7)133)95(157)121-66(37-39-79(142)143)88(150)120-65(36-38-78(140)141)84(146)114-52-76(138)117-73(98(160)161)50-75(107)137/h13-14,17-22,29-32,54-58,62-73,81-83,133-134H,12,15-16,23-28,33-53,105H2,1-11H3,(H2,106,136)(H2,107,137)(H,114,146)(H,115,147)(H,116,135)(H,117,138)(H,118,148)(H,119,152)(H,120,150)(H,121,157)(H,122,154)(H,123,149)(H,124,153)(H,125,158)(H,126,162)(H,127,163)(H,128,139)(H,129,151)(H,130,155)(H,131,156)(H,132,159)(H,140,141)(H,142,143)(H,144,145)(H,160,161)(H4,108,109,112)(H4,110,111,113)/b14-13-/t56-,57+,58+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-,82-,83-,103-,104-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated N-terminal His6-tagged recombinant KRAS G12C mutant (unknown origin) by BLI method |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111844
BindingDB Entry DOI: 10.7270/Q2B27ZPM |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50585382
(CHEMBL5085395)Show SMILES CN1CCC[C@H]1COc1nc(N2CCN(C)CC2)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human AviTEV6His-tagged KRAS isoform 4B wild type (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01688
BindingDB Entry DOI: 10.7270/Q2TM7G15 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50519446
(CHEMBL4474357)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O |r,c:67| Show InChI InChI=1S/C104H164N28O31/c1-12-56(6)81(128-77(139)53-115-85(147)69(47-60-29-19-17-20-30-60)122-91(153)70(48-61-31-21-18-22-32-61)123-87(149)64(35-28-44-113-102(110)111)118-86(148)62(116-59(9)135)34-27-43-112-101(108)109)97(159)132-104(11)41-25-16-14-13-15-24-40-103(10,131-94(156)71(49-74(106)136)124-92(154)72(51-80(144)145)125-96(158)83(58(8)134)130-93(155)68(46-55(4)5)127-100(104)163)99(162)126-67(45-54(2)3)90(152)119-63(33-23-26-42-105)89(151)129-82(57(7)133)95(157)121-66(37-39-79(142)143)88(150)120-65(36-38-78(140)141)84(146)114-52-76(138)117-73(98(160)161)50-75(107)137/h13-14,17-22,29-32,54-58,62-73,81-83,133-134H,12,15-16,23-28,33-53,105H2,1-11H3,(H2,106,136)(H2,107,137)(H,114,146)(H,115,147)(H,116,135)(H,117,138)(H,118,148)(H,119,152)(H,120,150)(H,121,157)(H,122,153)(H,123,149)(H,124,154)(H,125,158)(H,126,162)(H,127,163)(H,128,139)(H,129,151)(H,130,155)(H,131,156)(H,132,159)(H,140,141)(H,142,143)(H,144,145)(H,160,161)(H4,108,109,112)(H4,110,111,113)/b14-13-/t56-,57+,58+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-,82-,83-,103-,104-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.81E+3 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated N-terminal His6-tagged recombinant KRAS G12C mutant (unknown origin) by BLI method |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111844
BindingDB Entry DOI: 10.7270/Q2B27ZPM |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50579091
(CHEMBL4849311)Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GDP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs b... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01130
BindingDB Entry DOI: 10.7270/Q22V2KZ6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50607572
(CHEMBL5220361)Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(N)c1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01120
BindingDB Entry DOI: 10.7270/Q2CC14S5 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50607571
(CHEMBL5219570)Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(N)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01120
BindingDB Entry DOI: 10.7270/Q2CC14S5 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50607565
(CHEMBL5219175) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01120
BindingDB Entry DOI: 10.7270/Q2CC14S5 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50517187
(CHEMBL4464335 | US11053226, Example 1-7)Show SMILES COc1cccc2CN(CCc12)C(=O)c1c(C2CC2)n(CC(=O)NC2CN(C2)C(=O)C=C)c2c(C)cc(Cl)cc12 Show InChI InChI=1S/C31H33ClN4O4/c1-4-27(38)35-15-22(16-35)33-26(37)17-36-29-18(2)12-21(32)13-24(29)28(30(36)19-8-9-19)31(39)34-11-10-23-20(14-34)6-5-7-25(23)40-3/h4-7,12-13,19,22H,1,8-11,14-17H2,2-3H3,(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to KRAS (unknown origin) by H-ddNMR analysis |
ACS Med Chem Lett 10: 1302-1308 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00258
BindingDB Entry DOI: 10.7270/Q2CN778Q |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50549223
(CHEMBL4796065)Show SMILES CN(C)Cc1[nH]c2ccccc2c1[C@H]1NC(=O)c2ccc(O)cc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to GCP-KRAS G12D (unknown origin) by isothermal titration calorimetry |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
GTPase KRas
(Homo sapiens (Human)) | BDBM50607570
(CHEMBL5220515) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01120
BindingDB Entry DOI: 10.7270/Q2CC14S5 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50519445
(CHEMBL4466215)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O |r,c:67| Show InChI InChI=1S/C104H164N28O31/c1-12-56(6)81(128-77(139)53-115-85(147)69(47-60-29-19-17-20-30-60)123-91(153)70(48-61-31-21-18-22-32-61)124-87(149)64(35-28-44-113-102(110)111)118-86(148)62(116-59(9)135)34-27-43-112-101(108)109)97(159)132-104(11)41-25-16-14-13-15-24-40-103(10,131-94(156)71(49-74(106)136)125-96(158)83(58(8)134)130-93(155)67(45-54(2)3)122-92(154)72(51-80(144)145)127-100(104)163)99(162)126-68(46-55(4)5)90(152)119-63(33-23-26-42-105)89(151)129-82(57(7)133)95(157)121-66(37-39-79(142)143)88(150)120-65(36-38-78(140)141)84(146)114-52-76(138)117-73(98(160)161)50-75(107)137/h13-14,17-22,29-32,54-58,62-73,81-83,133-134H,12,15-16,23-28,33-53,105H2,1-11H3,(H2,106,136)(H2,107,137)(H,114,146)(H,115,147)(H,116,135)(H,117,138)(H,118,148)(H,119,152)(H,120,150)(H,121,157)(H,122,154)(H,123,153)(H,124,149)(H,125,158)(H,126,162)(H,127,163)(H,128,139)(H,129,151)(H,130,155)(H,131,156)(H,132,159)(H,140,141)(H,142,143)(H,144,145)(H,160,161)(H4,108,109,112)(H4,110,111,113)/b14-13-/t56-,57+,58+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,81-,82-,83-,103-,104-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.61E+4 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated N-terminal His6-tagged recombinant KRAS G12C mutant (unknown origin) by BLI method |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111844
BindingDB Entry DOI: 10.7270/Q2B27ZPM |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50585384
(CHEMBL5084171)Show SMILES CN1CCC[C@H]1COc1nc(N2CCNCC2)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00099
BindingDB Entry DOI: 10.7270/Q25B06J8 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50585384
(CHEMBL5084171)Show SMILES CN1CCC[C@H]1COc1nc(N2CCNCC2)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human AviTEV6His-tagged KRAS isoform 4B wild type (1 to 169 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01688
BindingDB Entry DOI: 10.7270/Q2TM7G15 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50519447
(CHEMBL4581149)Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(O)=O |r,c:67| Show InChI InChI=1S/C100H159N27O28/c1-12-55(6)78(123-75(134)52-111-82(140)68(47-59-29-19-17-20-30-59)118-88(146)69(48-60-31-21-18-22-32-60)119-84(142)63(35-28-44-109-98(106)107)114-83(141)61(112-58(9)130)34-27-43-108-97(104)105)93(151)127-100(11)41-25-16-14-13-15-24-40-99(10,126-90(148)70(49-72(102)131)120-92(150)80(57(8)129)125-89(147)67(46-54(4)5)122-96(100)155)95(154)121-66(45-53(2)3)87(145)115-62(33-23-26-42-101)86(144)124-79(56(7)128)91(149)117-65(37-39-77(137)138)85(143)116-64(36-38-76(135)136)81(139)110-51-74(133)113-71(94(152)153)50-73(103)132/h13-14,17-22,29-32,53-57,61-71,78-80,128-129H,12,15-16,23-28,33-52,101H2,1-11H3,(H2,102,131)(H2,103,132)(H,110,139)(H,111,140)(H,112,130)(H,113,133)(H,114,141)(H,115,145)(H,116,143)(H,117,149)(H,118,146)(H,119,142)(H,120,150)(H,121,154)(H,122,155)(H,123,134)(H,124,144)(H,125,147)(H,126,148)(H,127,151)(H,135,136)(H,137,138)(H,152,153)(H4,104,105,108)(H4,106,107,109)/b14-13-/t55-,56+,57+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,99-,100-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.78E+4 | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated N-terminal His6-tagged recombinant KRAS G12C mutant (unknown origin) by BLI method |
Eur J Med Chem 185: (2020)
Article DOI: 10.1016/j.ejmech.2019.111844
BindingDB Entry DOI: 10.7270/Q2B27ZPM |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088354
(CHEMBL2086795)Show SMILES CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1 |r| Show InChI InChI=1S/C22H25N5O/c1-3-13(2)21(23)22(28)25-15-8-9-18-19(11-15)27-20(26-18)10-14-12-24-17-7-5-4-6-16(14)17/h4-9,11-13,21,24H,3,10,23H2,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to KRas (unknown origin) |
Bioorg Med Chem Lett 25: 2461-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.089
BindingDB Entry DOI: 10.7270/Q2SF2XVC |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088363
(CHEMBL2086796)Show SMILES O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description
Binding affinity to KRAS (unknown origin) |
J Med Chem 58: 9063-88 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00586
BindingDB Entry DOI: 10.7270/Q24T6NC6 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088354
(CHEMBL2086795)Show SMILES CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1 |r| Show InChI InChI=1S/C22H25N5O/c1-3-13(2)21(23)22(28)25-15-8-9-18-19(11-15)27-20(26-18)10-14-12-24-17-7-5-4-6-16(14)17/h4-9,11-13,21,24H,3,10,23H2,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 15N-labelled GDP bound KRas G12D mutant ( 1 to 169 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50601394
(CHEMBL5176776)Show SMILES CC[C@H](C)[C@H](N)C(=O)NC1=Cc2[nH]c(Cc3c[nH]c4ccccc34)nc2CC1 |r,t:9| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113006
BindingDB Entry DOI: 10.7270/Q2G44VBP |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088363
(CHEMBL2086796)Show SMILES O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113006
BindingDB Entry DOI: 10.7270/Q2G44VBP |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50088363
(CHEMBL2086796)Show SMILES O=C(Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C21H21N5O/c27-21(18-6-3-9-22-18)24-14-7-8-17-19(11-14)26-20(25-17)10-13-12-23-16-5-2-1-4-15(13)16/h1-2,4-5,7-8,11-12,18,22-23H,3,6,9-10H2,(H,24,27)(H,25,26)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to 15N-labelled GDP bound KRas G12D mutant ( 1 to 169 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) cells... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S |
More data for this
Ligand-Target Pair | |
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