Found 18 hits with Last Name = 'yamanaka' and Initial = 'y' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
GTPase KRas
(Homo sapiens (Human)) | BDBM50590536
(CHEMBL5209329)Show SMILES CN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590537
(CHEMBL5205152)Show SMILES CCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590541
(CHEMBL5181467)Show SMILES CN1CCC(COc2nc(N3CCC4(CN(C4)C(=O)C=C)CC3)c3cc(Cl)c(c(F)c3n2)-c2c(C)ccc3[nH]ncc23)CC1 |(9.23,-8.01,;7.9,-7.24,;7.9,-5.7,;6.56,-4.93,;5.23,-5.7,;3.9,-4.93,;2.56,-5.7,;1.23,-4.93,;1.22,-3.41,;-.11,-2.64,;-.11,-1.1,;-1.44,-.33,;-1.44,1.21,;-.11,1.98,;-1.21,3.09,;-.12,4.17,;.98,3.07,;-.12,5.71,;-1.46,6.48,;1.21,6.48,;1.21,8.02,;1.23,1.21,;1.23,-.33,;-1.43,-3.41,;-2.76,-2.64,;-4.09,-3.4,;-5.43,-2.63,;-4.09,-4.94,;-2.75,-5.72,;-2.75,-7.26,;-1.42,-4.94,;-.09,-5.71,;-5.43,-5.71,;-5.43,-7.25,;-4.09,-8.02,;-6.75,-8.02,;-8.09,-7.26,;-8.09,-5.71,;-9.23,-4.68,;-8.61,-3.28,;-7.07,-3.44,;-6.75,-4.95,;5.23,-7.24,;6.56,-8.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590532
(CHEMBL5208546)Show SMILES CN1CCC(CC1)Nc1nc(N2CCC3(CN(C3)C(=O)C=C)C2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.53,;7.23,-2.3,;5.9,-1.53,;4.56,-2.3,;4.56,-3.84,;5.9,-4.61,;7.23,-3.84,;3.23,-4.61,;1.9,-3.84,;1.89,-2.32,;.56,-1.55,;.56,-.01,;-.68,.89,;-.21,2.36,;1.33,2.36,;.93,3.87,;2.41,4.27,;2.82,2.75,;3.18,5.6,;2.41,6.94,;4.72,5.6,;5.49,6.94,;1.81,.89,;-.76,-2.32,;-2.09,-1.55,;-3.43,-2.31,;-4.76,-1.54,;-3.43,-3.86,;-2.09,-4.63,;-2.09,-6.17,;-.76,-3.85,;.58,-4.62,;-4.76,-4.62,;-4.76,-6.17,;-3.43,-6.94,;-6.08,-6.93,;-7.42,-6.17,;-7.42,-4.63,;-8.57,-3.6,;-7.94,-2.19,;-6.41,-2.35,;-6.09,-3.86,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590543
(CHEMBL5186010)Show SMILES CN(C)CCCOc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(9.23,-4.93,;7.9,-5.7,;7.9,-7.24,;6.57,-4.93,;5.23,-5.7,;3.9,-4.93,;2.56,-5.7,;1.23,-4.93,;1.22,-3.41,;-.11,-2.64,;-.11,-1.1,;-1.44,-.33,;-1.44,1.21,;-.11,1.98,;-1.21,3.09,;-.12,4.17,;.98,3.07,;-.12,5.71,;-1.46,6.48,;1.21,6.48,;1.21,8.02,;1.23,1.21,;1.23,-.33,;-1.43,-3.41,;-2.76,-2.64,;-4.09,-3.4,;-5.43,-2.63,;-4.09,-4.94,;-2.75,-5.72,;-2.75,-7.26,;-1.42,-4.94,;-.09,-5.71,;-5.43,-5.71,;-5.43,-7.25,;-4.09,-8.02,;-6.75,-8.02,;-8.09,-7.26,;-8.09,-5.72,;-9.23,-4.68,;-8.61,-3.28,;-7.07,-3.44,;-6.76,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590542
(CHEMBL5191000)Show SMILES CN(C)CCOc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-5.7,;7.23,-4.93,;7.23,-3.39,;5.9,-5.7,;4.56,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590533
(CHEMBL5204061)Show SMILES CN1CCC(CC1)Nc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590545
(CHEMBL5206689)Show SMILES Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OCCCN3CCCCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-4.76,-8.02,;-6.09,-7.25,;-7.42,-8.02,;-8.76,-7.26,;-8.76,-5.72,;-9.9,-4.68,;-9.27,-3.28,;-7.74,-3.44,;-7.42,-4.95,;-6.09,-5.71,;-4.76,-4.94,;-4.76,-3.4,;-6.09,-2.63,;-3.43,-2.64,;-2.09,-3.41,;-.77,-2.64,;.56,-3.41,;.56,-4.93,;1.9,-5.7,;3.23,-4.93,;4.56,-5.7,;5.9,-4.93,;7.23,-5.7,;8.57,-4.93,;9.9,-5.7,;9.9,-7.24,;8.57,-8.01,;7.23,-7.24,;-.76,-5.71,;-2.09,-4.94,;-3.42,-5.72,;-3.42,-7.26,;-.77,-1.1,;-2.11,-.33,;-2.11,1.21,;-.77,1.98,;-1.88,3.09,;-.79,4.17,;.32,3.07,;-.79,5.71,;-2.12,6.48,;.54,6.48,;.54,8.02,;.56,1.21,;.56,-.33,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590530
(CHEMBL5196734)Show SMILES CN1CCC(CC1)Nc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.52,;7.23,-2.29,;5.9,-1.52,;4.56,-2.29,;4.56,-3.83,;5.9,-4.6,;7.23,-3.83,;3.23,-4.6,;1.9,-3.83,;1.89,-2.31,;.56,-1.54,;.56,-0,;-.77,.77,;-.77,2.31,;.56,3.08,;1.9,2.31,;1.9,.77,;.56,4.62,;-.77,5.39,;1.9,5.39,;1.9,6.93,;-.76,-2.31,;-2.09,-1.54,;-3.43,-2.31,;-4.76,-1.54,;-3.43,-3.85,;-2.09,-4.62,;-2.09,-6.16,;-.76,-3.84,;.58,-4.61,;-4.76,-4.62,;-4.76,-6.16,;-3.43,-6.93,;-6.08,-6.92,;-7.42,-6.16,;-7.42,-4.62,;-8.57,-3.59,;-7.94,-2.18,;-6.41,-2.34,;-6.09,-3.85,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590546
(CHEMBL5177793)Show SMILES Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OCCCN3CCOCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-4.76,-8.02,;-6.09,-7.25,;-7.42,-8.02,;-8.76,-7.26,;-8.76,-5.72,;-9.9,-4.68,;-9.27,-3.28,;-7.74,-3.44,;-7.42,-4.95,;-6.09,-5.71,;-4.76,-4.94,;-4.76,-3.4,;-6.09,-2.63,;-3.43,-2.64,;-2.09,-3.41,;-.77,-2.64,;.56,-3.41,;.56,-4.93,;1.9,-5.7,;3.23,-4.93,;4.56,-5.7,;5.9,-4.93,;7.23,-5.7,;8.57,-4.93,;9.9,-5.7,;9.9,-7.24,;8.57,-8.01,;7.23,-7.24,;-.76,-5.71,;-2.09,-4.94,;-3.42,-5.72,;-3.42,-7.26,;-.77,-1.1,;-2.11,-.33,;-2.11,1.21,;-.77,1.98,;-1.88,3.09,;-.79,4.17,;.32,3.07,;-.79,5.71,;-2.12,6.48,;.54,6.48,;.54,8.02,;.56,1.21,;.56,-.33,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590544
(CHEMBL5196761)Show SMILES CN(C)CC1(CCC1)Oc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-5.7,;7.23,-4.93,;7.23,-3.39,;5.9,-5.7,;4.56,-4.93,;3.46,-3.82,;4.55,-2.73,;5.65,-3.84,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590538
(CHEMBL5181293)Show SMILES CCN1CCC(CC1)Sc1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.9,1.21,;1.9,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590547
(CHEMBL5202742)Show SMILES Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(nc(OC3CCOCC3)nc2c1F)N1CCC2(CN(C2)C(=O)C=C)CC1 |(-2.76,-8.02,;-4.09,-7.25,;-5.42,-8.02,;-6.75,-7.26,;-6.75,-5.72,;-7.9,-4.68,;-7.27,-3.28,;-5.74,-3.44,;-5.42,-4.95,;-4.09,-5.71,;-2.76,-4.94,;-2.76,-3.4,;-4.09,-2.63,;-1.43,-2.64,;-.09,-3.41,;1.23,-2.64,;2.56,-3.41,;2.56,-4.93,;3.9,-5.7,;5.23,-4.93,;5.23,-3.39,;6.56,-2.62,;7.9,-3.39,;7.9,-4.93,;6.56,-5.7,;1.24,-5.71,;-.09,-4.94,;-1.42,-5.72,;-1.42,-7.26,;1.23,-1.1,;-.11,-.33,;-.11,1.21,;1.23,1.98,;.12,3.09,;1.21,4.17,;2.32,3.07,;1.21,5.71,;-.12,6.48,;2.54,6.48,;2.54,8.02,;2.56,1.21,;2.56,-.33,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590531
(CHEMBL5199429)Show SMILES CN1CCC(CC1)Nc1nc(N2CC3(CN(C3)C(=O)C=C)C2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.18,;7.23,-2.95,;5.9,-2.18,;4.56,-2.95,;4.56,-4.49,;5.9,-5.26,;7.23,-4.49,;3.23,-5.26,;1.9,-4.49,;1.89,-2.96,;.56,-2.2,;.56,-.66,;-.55,.45,;.54,1.54,;-.56,2.64,;.52,3.73,;1.63,2.63,;.52,5.27,;-.81,6.04,;1.86,6.04,;1.86,7.58,;1.65,.43,;-.76,-2.97,;-2.09,-2.2,;-3.43,-2.96,;-4.76,-2.19,;-3.43,-4.5,;-2.09,-5.28,;-2.09,-6.82,;-.76,-4.5,;.58,-5.27,;-4.76,-5.27,;-4.76,-6.81,;-3.43,-7.58,;-6.08,-7.58,;-7.42,-6.82,;-7.42,-5.27,;-8.57,-4.24,;-7.94,-2.84,;-6.41,-3,;-6.09,-4.5,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590539
(CHEMBL5187482)Show SMILES CCN1CCC(CC1)N(C)c1nc(N2CCC3(CN(C3)C(=O)C=C)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.08,;8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;3.23,-7.24,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.77,-.33,;-.77,1.21,;.56,1.98,;-.55,3.09,;.54,4.17,;1.65,3.07,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;1.89,1.21,;1.89,-.33,;-.76,-3.41,;-2.09,-2.64,;-3.42,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.71,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590540
(CHEMBL5193630)Show SMILES CCN1CCC(CC1)Oc1nc(N2CCC3(CN(C3)C(=O)\C=C\CN3CCOCC3)CC2)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-3.78,;8.57,-5.32,;7.23,-6.09,;5.9,-5.32,;4.56,-6.09,;4.56,-7.63,;5.9,-8.4,;7.23,-7.63,;3.23,-8.4,;1.9,-7.63,;1.89,-6.1,;.56,-5.34,;.56,-3.8,;-.77,-3.03,;-.77,-1.49,;.56,-.72,;-.55,.39,;.54,1.48,;1.65,.37,;.54,3.02,;-.79,3.79,;1.88,3.79,;1.88,5.33,;3.21,6.1,;3.21,7.64,;1.88,8.41,;1.88,9.95,;3.21,10.72,;4.54,9.95,;4.54,8.41,;1.89,-1.49,;1.89,-3.03,;-.76,-6.1,;-2.09,-5.33,;-3.42,-6.1,;-4.76,-5.33,;-3.43,-7.64,;-2.09,-8.41,;-2.09,-9.95,;-.76,-7.64,;.58,-8.4,;-4.76,-8.41,;-4.76,-9.95,;-3.43,-10.72,;-6.08,-10.72,;-7.42,-9.96,;-7.42,-8.41,;-8.57,-7.38,;-7.94,-5.97,;-6.41,-6.13,;-6.09,-7.64,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590534
(CHEMBL5208763)Show SMILES CN1CCC(CC1)Nc1nc(N2CC3(C2)CCN(C3)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-1.67,;7.23,-2.44,;5.9,-1.67,;4.56,-2.44,;4.56,-3.98,;5.9,-4.75,;7.23,-3.98,;3.23,-4.75,;1.9,-3.98,;1.89,-2.46,;.56,-1.7,;.56,-.16,;-.55,.95,;.54,2.04,;1.65,.93,;-.7,2.95,;-.23,4.41,;1.31,4.41,;1.79,2.95,;2.08,5.74,;1.31,7.08,;3.62,5.74,;4.39,7.08,;-.76,-2.46,;-2.09,-1.69,;-3.43,-2.46,;-4.76,-1.69,;-3.43,-4,;-2.09,-4.77,;-2.09,-6.31,;-.76,-3.99,;.58,-4.76,;-4.76,-4.77,;-4.76,-6.31,;-3.43,-7.08,;-6.08,-7.08,;-7.42,-6.31,;-7.42,-4.77,;-8.57,-3.74,;-7.94,-2.33,;-6.41,-2.49,;-6.09,-4,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50590535
(CHEMBL5170321)Show SMILES CN1CCC(CC1)Nc1nc(N2CC3(C2)CCN(CC3)C(=O)C=C)c2cc(Cl)c(c(F)c2n1)-c1c(C)ccc2[nH]ncc12 |(8.57,-2.62,;7.23,-3.39,;5.9,-2.62,;4.56,-3.39,;4.56,-4.93,;5.9,-5.7,;7.23,-4.93,;3.23,-5.7,;1.9,-4.93,;1.89,-3.41,;.56,-2.64,;.56,-1.1,;-.55,.01,;.54,1.09,;1.65,-.01,;-.79,1.86,;-.79,3.4,;.54,4.17,;1.88,3.4,;1.88,1.86,;.54,5.71,;-.79,6.48,;1.88,6.48,;1.88,8.02,;-.76,-3.41,;-2.09,-2.64,;-3.43,-3.4,;-4.76,-2.63,;-3.43,-4.94,;-2.09,-5.72,;-2.09,-7.26,;-.76,-4.94,;.58,-5.71,;-4.76,-5.71,;-4.76,-7.25,;-3.43,-8.02,;-6.08,-8.02,;-7.42,-7.26,;-7.42,-5.72,;-8.57,-4.68,;-7.94,-3.28,;-6.41,-3.44,;-6.09,-4.95,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116949
BindingDB Entry DOI: 10.7270/Q23T9N5B |
More data for this
Ligand-Target Pair | |
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