Found 424 hits with Last Name = 'westover' and Initial = 'kd' 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)) | BDBM50501345
(CHEMBL3958857)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H21ClN6O12P2/c15-3-7(22)17-1-2-30-34(26,27)33-35(28,29)31-4-6-9(23)10(24)13(32-6)21-5-18-8-11(21)19-14(16)20-12(8)25/h5-6,9-10,13,23-24H,1-4H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t6-,9-,10-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209651
(CHEMBL3883384)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501343
(CHEMBL3922435)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)C=C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O12P2/c1-2-8(22)17-3-4-30-34(26,27)33-35(28,29)31-5-7-10(23)11(24)14(32-7)21-6-18-9-12(21)19-15(16)20-13(9)25/h2,6-7,10-11,14,23-24H,1,3-5H2,(H,17,22)(H,26,27)(H,28,29)(H3,16,19,20,25)/t7-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501342
(CHEMBL3904433)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H25ClN6O11P2/c17-4-9(24)19-2-1-3-32-35(28,29)7-36(30,31)33-5-8-11(25)12(26)15(34-8)23-6-20-10-13(23)21-16(18)22-14(10)27/h6,8,11-12,15,25-26H,1-5,7H2,(H,19,24)(H,28,29)(H,30,31)(H3,18,21,22,27)/t8-,11-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501347
(CHEMBL3935647)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21ClF2N6O11P2/c16-3-7(25)20-1-2-33-36(29,30)15(17,18)37(31,32)34-4-6-9(26)10(27)13(35-6)24-5-21-8-11(24)22-14(19)23-12(8)28/h5-6,9-10,13,26-27H,1-4H2,(H,20,25)(H,29,30)(H,31,32)(H3,19,22,23,28)/t6-,9-,10-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501344
(CHEMBL3932440)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H23ClF2N6O11P2/c17-4-8(26)21-2-1-3-34-37(30,31)16(18,19)38(32,33)35-5-7-10(27)11(28)14(36-7)25-6-22-9-12(25)23-15(20)24-13(9)29/h6-7,10-11,14,27-28H,1-5H2,(H,21,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t7-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501341
(CHEMBL3897666)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H25ClN6O11P2/c18-3-10(25)23-2-1-8(4-23)35-37(31,32)7-36(29,30)33-5-9-12(26)13(27)16(34-9)24-6-20-11-14(24)21-17(19)22-15(11)28/h6,8-9,12-13,16,26-27H,1-5,7H2,(H,29,30)(H,31,32)(H3,19,21,22,28)/t8?,9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501332
(CHEMBL3982443)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23ClN7O10PS/c16-3-8(24)18-1-2-20-35(30,31)6-34(28,29)32-4-7-10(25)11(26)14(33-7)23-5-19-9-12(23)21-15(17)22-13(9)27/h5,7,10-11,14,20,25-26H,1-4,6H2,(H,18,24)(H,28,29)(H3,17,21,22,27)/t7-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501335
(CHEMBL3940601)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN6O10P/c17-3-8(24)19-1-2-32-34(29,30)5-9(25)31-4-7-11(26)12(27)15(33-7)23-6-20-10-13(23)21-16(18)22-14(10)28/h6-7,11-12,15,26-27H,1-5H2,(H,19,24)(H,29,30)(H3,18,21,22,28)/t7-,11-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501339
(CHEMBL3961855)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H23ClN6O11P2/c16-3-8(23)18-1-2-31-34(27,28)6-35(29,30)32-4-7-10(24)11(25)14(33-7)22-5-19-9-12(22)20-15(17)21-13(9)26/h5,7,10-11,14,24-25H,1-4,6H2,(H,18,23)(H,27,28)(H,29,30)(H3,17,20,21,26)/t7-,10-,11-,14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501350
(CHEMBL3974440)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OC2CCCN(C2)C(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)24-3-1-2-9(5-24)36-38(32,33)8-37(30,31)34-6-10-13(27)14(28)17(35-10)25-7-21-12-15(25)22-18(20)23-16(12)29/h7,9-10,13-14,17,27-28H,1-6,8H2,(H,30,31)(H,32,33)(H3,20,22,23,29)/t9?,10-,13-,14-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501334
(CHEMBL3953729)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20ClN7O10S/c16-3-7(24)18-1-2-31-15(28)22-34(29,30)32-4-6-9(25)10(26)13(33-6)23-5-19-8-11(23)20-14(17)21-12(8)27/h5-6,9-10,13,25-26H,1-4H2,(H,18,24)(H,22,28)(H3,17,20,21,27)/t6-,9-,10-,13-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501333
(CHEMBL3968831)Show SMILES CC(C)(CNC(=O)CCl)COP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C18H29ClN6O11P2/c1-18(2,5-21-10(26)3-19)6-35-38(32,33)8-37(30,31)34-4-9-12(27)13(28)16(36-9)25-7-22-11-14(25)23-17(20)24-15(11)29/h7,9,12-13,16,27-28H,3-6,8H2,1-2H3,(H,21,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t9-,12-,13-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501337
(CHEMBL3941415)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22ClFN6O11P2/c16-3-7(24)19-1-2-32-35(28,29)14(17)36(30,31)33-4-6-9(25)10(26)13(34-6)23-5-20-8-11(23)21-15(18)22-12(8)27/h5-6,9-10,13-14,25-26H,1-4H2,(H,19,24)(H,28,29)(H,30,31)(H3,18,21,22,27)/t6-,9-,10-,13-,14?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501338
(CHEMBL3911460)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COC(=O)CS(=O)(=O)NCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN7O9S/c17-3-8(25)19-1-2-21-34(30,31)5-9(26)32-4-7-11(27)12(28)15(33-7)24-6-20-10-13(24)22-16(18)23-14(10)29/h6-7,11-12,15,21,27-28H,1-5H2,(H,19,25)(H3,18,22,23,29)/t7-,11-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501348
(CHEMBL3913450)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CC(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22ClN6O10P/c17-3-8(24)19-1-2-31-9(25)5-34(29,30)32-4-7-11(26)12(27)15(33-7)23-6-20-10-13(23)21-16(18)22-14(10)28/h6-7,11-12,15,26-27H,1-5H2,(H,19,24)(H,29,30)(H3,18,21,22,28)/t7-,11-,12-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501340
(CHEMBL3936077)Show SMILES COC(=O)\C=C\CCCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O |r| Show InChI InChI=1S/C18H27N5O12P2/c1-32-11(24)5-3-2-4-6-33-36(28,29)9-37(30,31)34-7-10-13(25)14(26)17(35-10)23-8-20-12-15(23)21-18(19)22-16(12)27/h3,5,8,10,13-14,17,25-26H,2,4,6-7,9H2,1H3,(H,28,29)(H,30,31)(H3,19,21,22,27)/b5-3+/t10-,13-,14-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501349
(CHEMBL3981450)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CNc2c(NCCCNC(=O)CCl)c(=O)c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H23ClN8O7/c20-4-8(29)22-2-1-3-23-9-10(14(32)13(9)31)24-5-7-12(30)15(33)18(35-7)28-6-25-11-16(28)26-19(21)27-17(11)34/h6-7,12,15,18,23-24,30,33H,1-5H2,(H,22,29)(H3,21,26,27,34)/t7-,12-,15-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501336
(CHEMBL3965944)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)22-8-1-2-9(3-8)36-38(32,33)7-37(30,31)34-5-10-13(27)14(28)17(35-10)25-6-21-12-15(25)23-18(20)24-16(12)29/h6,8-10,13-14,17,27-28H,1-5,7H2,(H,22,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t8-,9-,10-,13-,14-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
GTPase KRas
(Homo sapiens (Human)) | BDBM50501346
(CHEMBL3945018)Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)O[C@@H]2CC[C@@H](C2)NC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H27ClN6O11P2/c19-4-11(26)22-8-1-2-9(3-8)36-38(32,33)7-37(30,31)34-5-10-13(27)14(28)17(35-10)25-6-21-12-15(25)23-18(20)24-16(12)29/h6,8-10,13-14,17,27-28H,1-5,7H2,(H,22,26)(H,30,31)(H,32,33)(H3,20,23,24,29)/t8-,9+,10+,13+,14+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dana Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay |
ACS Med Chem Lett 8: 61-66 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00373
BindingDB Entry DOI: 10.7270/Q24F1TRH |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50209759
(CHEMBL3884839)Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50209748
(CHEMBL3884960)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50337136
(4-((5,11-dimethyl-6-oxo-6,11-dihydro-5H-benzo[e]py...)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1 Show InChI InChI=1S/C27H31N7O3/c1-32-13-11-18(12-14-32)29-25(35)17-9-10-20(23(15-17)37-4)30-27-28-16-22-24(31-27)33(2)21-8-6-5-7-19(21)26(36)34(22)3/h5-10,15-16,18H,11-14H2,1-4H3,(H,29,35)(H,28,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00596
BindingDB Entry DOI: 10.7270/Q2SB4981 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209760
(CHEMBL3885421)Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209760
(CHEMBL3885421)Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50539936
(CHEMBL4646447)Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(NS(C)(=O)=O)cc3)nc12 Show InChI InChI=1S/C20H20N6O3S/c1-25-16-7-5-4-6-15(16)19(27)26(2)17-12-21-20(23-18(17)25)22-13-8-10-14(11-9-13)24-30(3,28)29/h4-12,24H,1-3H3,(H,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00596
BindingDB Entry DOI: 10.7270/Q2SB4981 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50514531
(CHEMBL4538743)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3ccoc3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C28H29N7O2/c1-3-26(36)31-24-6-4-5-7-25(24)32-27-23(20-12-17-37-19-20)18-29-28(33-27)30-21-8-10-22(11-9-21)35-15-13-34(2)14-16-35/h3-12,17-19H,1,13-16H2,2H3,(H,31,36)(H2,29,30,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50539946
(CHEMBL4643632)Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C28H33N7O3/c1-5-35-23-17-29-28(32-25(23)34(3)22-9-7-6-8-20(22)27(35)37)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h6-11,16-17,19H,5,12-15H2,1-4H3,(H,30,36)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00596
BindingDB Entry DOI: 10.7270/Q2SB4981 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209759
(CHEMBL3884839)Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209759
(CHEMBL3884839)Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50042034
((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...)Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50539937
(CHEMBL4636475)Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1 Show InChI InChI=1S/C21H22N6O4S/c1-26-16-8-6-5-7-14(16)20(28)27(2)17-12-22-21(24-19(17)26)23-15-10-9-13(11-18(15)31-3)25-32(4,29)30/h5-12,25H,1-4H3,(H,22,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00596
BindingDB Entry DOI: 10.7270/Q2SB4981 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50514534
(CHEMBL4515441)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H33ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of HCK (unknown origin) |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50539943
(CHEMBL4634326)Show SMILES CCN1c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc2N(C)c2ccccc2C1=O Show InChI InChI=1S/C26H31N7O2/c1-5-33-22-17-27-26(29-24(22)31(3)21-9-7-6-8-19(21)25(33)34)28-20-11-10-18(16-23(20)35-4)32-14-12-30(2)13-15-32/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,28,29) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00596
BindingDB Entry DOI: 10.7270/Q2SB4981 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50514534
(CHEMBL4515441)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H33ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h4-15,20H,1,16-19H2,2-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50514530
(CHEMBL4548584)Show SMILES CCC(=O)Nc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1C(=O)Nc1c(C)cccc1Cl Show InChI InChI=1S/C32H35ClN8O2/c1-4-28(42)36-26-10-5-6-11-27(26)37-30-24(31(43)38-29-21(2)8-7-9-25(29)33)20-34-32(39-30)35-22-12-14-23(15-13-22)41-18-16-40(3)17-19-41/h5-15,20H,4,16-19H2,1-3H3,(H,36,42)(H,38,43)(H2,34,35,37,39) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50514519
(CHEMBL4574265)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3cccs3)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C28H29N7OS/c1-3-26(36)31-23-7-4-5-8-24(23)32-27-22(25-9-6-18-37-25)19-29-28(33-27)30-20-10-12-21(13-11-20)35-16-14-34(2)15-17-35/h3-13,18-19H,1,14-17H2,2H3,(H,31,36)(H2,29,30,32,33) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50514520
(CHEMBL4462060)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(OCc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C32H34ClN7O2/c1-4-30(41)36-27-10-5-6-11-28(27)37-31-29(42-21-25-22(2)8-7-9-26(25)33)20-34-32(38-31)35-23-12-14-24(15-13-23)40-18-16-39(3)17-19-40/h4-15,20H,1,16-19,21H2,2-3H3,(H,36,41)(H2,34,35,37,38) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209653
(CHEMBL3884616)Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28) | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209653
(CHEMBL3884616)Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28) | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209662
(CHEMBL3884569)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29) | PDB
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| PDB
Article
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209662
(CHEMBL3884569)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29) | PDB
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Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50592040
(CHEMBL1989043)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114433
BindingDB Entry DOI: 10.7270/Q2BV7MMH |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50209651
(CHEMBL3883384)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50514527
(CHEMBL4452399)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1C Show InChI InChI=1S/C33H35ClN8O2/c1-5-29(43)37-26-11-6-7-12-27(26)38-31-24(32(44)39-30-21(2)9-8-10-25(30)34)20-35-33(40-31)36-23-13-14-28(22(3)19-23)42-17-15-41(4)16-18-42/h5-14,19-20H,1,15-18H2,2-4H3,(H,37,43)(H,39,44)(H2,35,36,38,40) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged full length SRC expressed in baculovirus expression system using tyrosine-2 peptide as substrate incubated... |
J Med Chem 63: 1624-1641 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01502
BindingDB Entry DOI: 10.7270/Q2H998J8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase DCLK1
(Homo sapiens (Human)) | BDBM50539941
(CHEMBL4645267)Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(Cc3ccccc3)c2n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H33N7O2/c1-35-15-17-37(18-16-35)23-13-14-25(28(19-23)40-3)33-31-32-20-27-29(34-31)38(21-22-9-5-4-6-10-22)26-12-8-7-11-24(26)30(39)36(27)2/h4-14,19-20H,15-18,21H2,1-3H3,(H,32,33,34) | PDB
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Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-CO... |
J Med Chem 63: 7817-7826 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00596
BindingDB Entry DOI: 10.7270/Q2SB4981 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209657
(CHEMBL3884229)Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28) | PDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209657
(CHEMBL3884229)Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28) | PDB
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| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209660
(CHEMBL3884281)Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27) | PDB
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay |
Bioorg Med Chem 25: 838-846 (2017)
Article DOI: 10.1016/j.bmc.2016.11.035
BindingDB Entry DOI: 10.7270/Q2Z89FD7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50209660
(CHEMBL3884281)Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27) | PDB
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| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute Inc
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) by LanthaScreen assay |
Bioorg Med Chem 25: 1320-1328 (2017)
Article DOI: 10.1016/j.bmc.2016.11.034
BindingDB Entry DOI: 10.7270/Q2JH3PNP |
More data for this
Ligand-Target Pair | |
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