Found 370 hits of kd for UniProtKB: P01116 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)) | 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 | 3.40E+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)) | BDBM50088364
(CHEMBL2396993)Show InChI InChI=1S/C17H15N3/c1-11-13(12-6-2-3-7-14(12)18-11)10-17-19-15-8-4-5-9-16(15)20-17/h2-9,18H,10H2,1H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+6 | 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)) | BDBM29608
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a |
Ruhr University of Bochum
Curated by ChEMBL
| Assay Description
Binding affinity to human K-RAS by NMR analysis |
J Med Chem 56: 9664-72 (2014)
Article DOI: 10.1021/jm401291q
BindingDB Entry DOI: 10.7270/Q2959K11 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573172
(US11453683, Example 1 | US20230279025, Example 1)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(cc2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 97.7 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573176
(US11453683, Example 86 | US20230279025, Example 86)Show SMILES COc1ccc(CCOc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cccc3cccc(Cl)c23)cn1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 5.28E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573199
(US11453683, Example 2 | US20230279025, Example 2)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573215
(US11453683, Example 87 | US20230279025, Example 87)Show SMILES Cc1cccc(CCOc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cc(O)cc3ccccc23)n1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573217
(US11453683, Example 3 | US20230279025, Example 3)Show SMILES Cn1ccnc1CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573228
(US11453683, Example 88 | US20230279025, Example 88)Show SMILES Cc1ccc2[nH]ncc2c1-c1ncc2c(nc(OCCc3nccn3C)nc2c1F)N1CC2CCC(C1)N2 |(-3.95,-5,;-5.28,-4.23,;-6.61,-5,;-7.95,-4.23,;-7.95,-2.69,;-9.09,-1.66,;-8.47,-.26,;-6.93,-.42,;-6.61,-1.93,;-5.28,-2.69,;-3.95,-1.93,;-3.95,-.38,;-2.61,.38,;-1.28,-.38,;.05,.38,;1.39,-.38,;1.39,-1.93,;2.72,-2.69,;4.06,-1.93,;5.39,-2.69,;6.72,-1.93,;8.19,-2.4,;9.09,-1.15,;8.19,.09,;6.72,-.38,;5.3,.2,;.05,-2.69,;-1.28,-1.93,;-2.61,-2.69,;-2.61,-4.23,;.05,1.93,;-1.28,2.69,;-1.28,4.23,;-.6,3.39,;.78,3.39,;1.39,4.23,;1.39,2.69,;.05,5,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573229
(US11453683, Example 4 | US20230279025, Example 4)Show SMILES Oc1cc(-c2ncc3c(nc(OCCc4ccccn4)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573230
(US11453683, Example 89 | US20230279025, Example 89)Show SMILES Oc1cc(-c2ncc3c(nc(OCc4ccccn4)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 4.31E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573231
(US11453683, Example 5 | US20230279025, Example 5)Show SMILES Cn1nccc1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 295 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573232
(US11453683, Example 90 | US20230279025, Example 90)Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCCc5cccnc5)nc4c3F)N3CC4CCC(C3)N4)c2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573233
(US11453683, Example 6 | US20230279025, Example 6)Show SMILES Cc1cccnc1CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 442 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573234
(US11453683, Example 91 | US20230279025, Example 91)Show SMILES CC(C)n1ccnc1CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 25.9 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573242
(US11453683, Example 96 | US20230279025, Example 96)Show SMILES Oc1cc(-c2ncc3c(nc(OCCc4ccccc4)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 464 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573236
(US11453683, Example 92 | US20230279025, Example 92)Show SMILES Fc1c(ncc2c(nc(OCCc3cn4ccccc4n3)nc12)N1CC2CCC(C1)N2)-c1cccc2cccc(Cl)c12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573237
(US11453683, Example 8 | US20230279025, Example 8)Show SMILES Cn1ccc(COc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cc(O)cc3ccccc23)n1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573238
(US11453683, Example 94 | US20230279025, Example 94)Show SMILES Cn1ccnc1CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 7.46E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573239
(US11453683, Example 9 | US20230279025, Example 9)Show SMILES Cn1cnc(COc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cc(O)cc3ccccc23)c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573240
(US11453683, Example 95 | US20230279025, Example 95)Show SMILES Cn1cncc1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573241
(US11453683, Example 10 | US20230279025, Example 10)Show SMILES CN1CCC[C@H]1CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 33.8 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573242
(US11453683, Example 96 | US20230279025, Example 96)Show SMILES Oc1cc(-c2ncc3c(nc(OCCc4ccccc4)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573243
(US11453683, Example 11 | US20230279025, Example 11)Show SMILES CCN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573244
(US11453683, Example 97 | US20230279025, Example 97)Show SMILES Fc1c(ncc2c(nc(OC[C@@H]3CCCN3Cc3ccccc3)nc12)N1CC2CCC(C1)N2)-c1cccc2cccc(Cl)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 5.92E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573245
(US11453683, Example 12 | US20230279025, Example 12)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@H]4CCCN4Cc4ccccc4)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573246
(US11453683, Example 99 | US20230279025, Example 99)Show SMILES Oc1cc(-c2ncc3c(nc(OCc4cccnc4)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 897 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573247
(US11453683, Example 13 | US20230279025, Example 13)Show SMILES CN(C)C(=O)CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 511 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573326
(US11453683, Example 157 | US20230279025, Example 1...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(CCC#N)(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 22.9 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM616992
(US20230279025, Example 56)Show SMILES C[C@H](CO)COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 5.17E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573324
(US11453683, Example 156 | US11453683, Example 158 ...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C)(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM616994
(US20230279025, Example 57)Show SMILES OCC(O)CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573330
(US11453683, Example 160 | US20230279025, Example 1...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(Cl)(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM616996
(US20230279025, Example 58)Show SMILES OCC[C@@H](CO)Oc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 4.73E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573332
(US11453683, Example 161 | US20230279025, Example 1...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2CCC(C)(C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 403 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM616998
(US20230279025, Example 59)Show SMILES OCC(COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12)c1cccnc1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573334
(US11453683, Example 162 | US20230279025, Example 1...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2CCC3(CC3)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 555 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM617000
(US20230279025, Example 60)Show SMILES O[N+]12CCCC1(COc1nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n1)-c1cccc3cccc(Cl)c13)CCC2 |(7.96,-3.22,;6.62,-2.45,;6.15,-3.91,;4.61,-3.91,;4.13,-2.45,;5.38,-1.54,;4.04,-.77,;2.71,-1.54,;1.38,-.77,;1.38,.77,;.04,1.54,;.04,3.08,;-1.29,3.85,;-1.29,5.39,;-.52,4.06,;.61,4.06,;1.38,5.39,;1.38,3.85,;.04,6.16,;-1.29,.77,;-2.62,1.54,;-3.96,.77,;-3.96,-.77,;-2.62,-1.54,;-2.62,-3.08,;-1.29,-.77,;.04,-1.54,;-5.29,-1.54,;-6.62,-.77,;-7.96,-1.54,;-7.96,-3.08,;-6.62,-3.85,;-6.62,-5.39,;-5.29,-6.16,;-3.96,-5.39,;-3.96,-3.85,;-2.62,-4.62,;-5.29,-3.08,;5.85,-.08,;7.39,-.08,;7.87,-1.54,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573336
(US11453683, Example 173 | US20230279025, Example 1...)Show SMILES Cn1ccnc1CCOc1nc(N2C[C@H]3C[C@@H](O)[C@@H](C2)N3)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573337
(US11453683, Example 61 | US20230279025, Example 61)Show SMILES OC(=O)CCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cccc2cccc(Cl)c12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573338
(US11453683, Example 174 | US20230279025, Example 1...)Show SMILES CC1CCc2cccc(c12)-c1ncc2c(nc(OC[C@@H]3CCCN3C)nc2c1F)N1CC2CCC(C1)N2 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM617004
(US20230279025, Example 67)Show SMILES Oc1cc(-c2ncc3c(nc(OCCc4ccccc4F)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573340
(US11453683, Example 179 | US11453683, Example 278 ...)Show SMILES Fc1c(ncc2c(nc(OCC34CCCN3CCC4)nc12)N1CC2CCC(C1)N2)-c1cccc2cccc(C#C)c12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573341
(US11453683, Example 68 | US20230279025, Example 68)Show SMILES COCCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 293 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM50579595
(CHEMBL4863339 | US11453683, Example 185 | US202302...)Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573343
(US11453683, Example 69 | US20230279025, Example 69)Show SMILES OCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 522 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573344
(US11453683, Example 190 | US20230279025, Example 1...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(C)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 76.1 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573345
(US11453683, Example 70 | US20230279025, Example 70)Show SMILES COCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 417 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM573346
(US11453683, Example 214 | US20230279025, Example 2...)Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)(N3)C=O)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2QR5281 |
More data for this
Ligand-Target Pair | |
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