Found 2537 hits of ic50 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 [G12D]
(Homo sapiens (Human)) | BDBM617349
(US20230279025, Example 465)Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.00100 | n/a | 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)) | BDBM617355
(US20230279025, Example 468)Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@]56CCCN5C[C@@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.00200 | n/a | 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)) | 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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| | n/a | n/a | <0.00200 | n/a | 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)) | BDBM617323
(US20230279025, Example 452 | US20230279025, Exampl...)Show SMILES C[C@@H]1CC1c1c(Cl)cc(O)cc1-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.00200 | n/a | 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)) | BDBM617363
(US20230279025, Example 482)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
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.00200 | n/a | 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)) | BDBM617357
(US20230279025, Example 469)Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@]45C[C@@H](F)CN4CCCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.00200 | n/a | 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)) | BDBM573400
(US11453683, Example 259 | US20230279025, Example 4...)Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.00200 | n/a | 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)) | BDBM617351
(US20230279025, Example 466)Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@]56C[C@@H](O)CN5C[C@@H](O)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.00600 | n/a | 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)) | BDBM617347
(US20230279025, Example 464)Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1F | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.00700 | n/a | 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)) | BDBM617345
(US20230279025, Example 463)Show SMILES Oc1cc(-c2ncc3c(nc(OCC4CCCN5CCCC45)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0120 | n/a | 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)) | BDBM629510
(US20230339981, Example 198)Show SMILES Fc1ccc2cccc(-c3nc4CCC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7[C@H](COc7cc(cnn7)C(F)(F)F)CC8)nc(c3F)c45)N6)c2c1C#C |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629513
(US20230339981, Example 201)Show SMILES Fc1ccc2cccc(-c3nc4CCC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7[C@H](CSc7cc(ncn7)C(F)(F)F)CC8)nc(c3F)c45)N6)c2c1C#C |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM617339
(US20230279025, Example 460)Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0270 | n/a | 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)) | BDBM629518
(US20230339981, Example 206)Show SMILES FC(F)c1cncnc1OC[C@@H]1CC[C@]2(COc3nc4N5C[C@H]6CC[C@H](N6)[C@H]5CCCc5nc(c(F)c(n3)c45)-c3cccc4ccc(F)c(C#C)c34)CCCN12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629509
(US20230339981, Example 197)Show SMILES CCC[C@@H]1NCCN2[C@@H]1CCCc1nc(c(F)c3nc(OC[C@@]45CCCN4[C@H](COc4cnc(cn4)C(F)(F)F)CC5)nc2c13)-c1cccc2ccc(F)c(C#C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629505
(US20230339981, Example 193)Show SMILES C[C@H]1Cc2cc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@H]14)c23)-c1cc(N)cc2ccc(F)c(C#C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647873
(US20240025919, Compound 104)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(Cl)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629512
(US20230339981, Example 200)Show SMILES FC(F)c1cnc(OC[C@@H]2CC[C@]3(COc4nc5N6C[C@H]7CC[C@H](N7)[C@H]6CCCc6nc(c(F)c(n4)c56)-c4cccc5ccc(F)c(C#C)c45)CCCN23)cn1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629381
(US20230339981, Example 68)Show SMILES C[C@]12CC[C@H](N1)[C@H]1CCc3nc(c(F)c4nc(OCC5(CN6CCC(F)CC6)CC5)nc(N1C2)c34)-c1cc(O)cc2ccc(F)c(C#C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647782
(US20240025919, Compound 9)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(Cl)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0570 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647776
(US20240025919, Compound 3)Show SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(cccc2c1)C#C |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629369
(US20230339981, Example 53 | US20240025919, Compoun...)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2ccc(F)c(C#C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647778
(US20240025919, Compound 5)Show SMILES CCc1cccc2cc(O)cc(-c3nc4OC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647784
(US20240025919, Compound 11)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629517
(US20230339981, Example 205)Show SMILES FC(F)c1cc(OC[C@@H]2CC[C@]3(COc4nc5N6C[C@H]7CC[C@H](N7)[C@H]6CCCc6nc(c(F)c(n4)c56)-c4cccc5ccc(F)c(C#C)c45)CCCN23)ncn1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629519
(US20230339981, Example 207)Show SMILES FC(F)c1nccnc1OC[C@@H]1CC[C@]2(COc3nc4N5C[C@H]6CC[C@H](N6)[C@H]5CCCc5nc(c(F)c(n3)c45)-c3cccc4ccc(F)c(C#C)c34)CCCN12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629387
(US20230339981, Example 75)Show SMILES Oc1cc(-c2nc3CCC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(C#C)c(F)ccc2c1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM616938
(US20230279025, Example 26 | US20230279025, Example...)Show SMILES Oc1cc(-c2ncc3c(nc(OCCN4C[C@@H]5C[C@H]4CO5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0620 | n/a | 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)) | BDBM647850
(US20240025919, Compound 80)Show SMILES CCc1cccc2cc(O)cc(-c3nc4O[C@@H](C)[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7CC(=C)C8)nc(c3F)c45)N6)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647788
(US20240025919, Compound 15)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(F)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629507
(US20230339981, Example 195)Show SMILES C[C@@H]1CC[C@@H]2[C@@H]3CC[C@H](CN2c2nc(OC[C@@]45CCCN4[C@H](CF)CC5)nc4c(F)c(nc1c24)-c1cccc2ccc(F)c(C#C)c12)N3 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM648017
(US20240025919, Compound 258)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCN(C)C4COC5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629511
(US20230339981, Example 199)Show SMILES Fc1ccc2cccc(-c3nc4CCC[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7[C@H](COc7cnnc(c7)C(F)(F)F)CC8)nc(c3F)c45)N6)c2c1C#C |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647838
(US20240025919, Compound 68)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC4(CC4(F)F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)cc(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647779
(US20240025919, Compound 6)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647792
(US20240025919, Compound 19)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]45CCN4CC(F)(F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(O)cc2cccc(C#C)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647938
(US20240025919, Compound 173)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OCC4(CN5CC(F)C5)CC4)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647901
(US20240025919, Compound 133)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647930
(US20240025919, Compound 165)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@]4(CN5CC6(COC6)C5)CC4(F)F)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629380
(US20230339981, Example 67)Show SMILES Oc1cc(-c2nc3CC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OCC6(CN7CCC[C@@H](F)C7)CC6)nc(c2F)c34)N5)c2c(C#C)c(F)ccc2c1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647901
(US20240025919, Compound 133)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647901
(US20240025919, Compound 133)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@@H]5C[C@H](CCN45)C(=O)N(C)C)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647783
(US20240025919, Compound 10)Show SMILES CCc1cccc2cc(O)cc(-c3nc4O[C@@H](C)[C@@H]5[C@@H]6CC[C@H](CN5c5nc(OC[C@@]78CCCN7C[C@H](F)C8)nc(c3F)c45)N6)c12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647832
(US20240025919, Compound 62)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCCN4CC4(CC4(F)F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0830 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM629322
(US20230339981, Example 2 | US20240025919, Compound...)Show SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(C#C)c(F)ccc2c1 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647802
(US20240025919, Compound 29)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OCC45CCN4C[C@H](F)C5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647804
(US20240025919, Compound 31)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@H]4CC[C@H]5COCCN45)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647935
(US20240025919, Compound 170)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OCC4(CN5C[C@H]6C[C@@H]5CO6)CC4)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM647886
(US20240025919, Compound 118)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OCC4(CN5CCOCC5)CC4)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
GTPase KRas [G12D]
(Homo sapiens (Human)) | BDBM648017
(US20240025919, Compound 258)Show SMILES C[C@@H]1Oc2nc(c(F)c3nc(OC[C@@]45CCN(C)C4COC5)nc(N4C[C@H]5CC[C@H](N5)[C@@H]14)c23)-c1cc(N)c(F)c(C)c1C(F)(F)F |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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