Found 21785 hits with Last Name = 'han' and Initial = 'b' 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 |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101512
(CHEMBL306033 | N*1*-{2-Cyclohexyl-1-[2-(2-morpholi...)Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C32H51N5O6/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(39)36-42)31(40)35-28(22-26-6-3-2-4-7-26)32(41)34-15-14-29(38)33-16-17-37-18-20-43-21-19-37/h10-13,26-28,42H,2-9,14-23H2,1H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101509
(CHEMBL306947 | N*1*-(2-Cyclohexyl-1-{2-[2-(morphol...)Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCNS(=O)(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C32H52N6O8S/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(40)37-43)31(41)36-28(22-26-6-3-2-4-7-26)32(42)34-15-14-29(39)33-16-17-35-47(44,45)38-18-20-46-21-19-38/h10-13,26-28,35,43H,2-9,14-23H2,1H3,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101499
(CHEMBL74040 | N*1*-(2-Cyclohexyl-1-{2-[2-(4-sulfam...)Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C34H49N5O7S/c1-24-10-12-25(13-11-24)8-5-9-28(23-32(41)39-44)33(42)38-30(22-27-6-3-2-4-7-27)34(43)37-21-19-31(40)36-20-18-26-14-16-29(17-15-26)47(35,45)46/h10-17,27-28,30,44H,2-9,18-23H2,1H3,(H,36,40)(H,37,43)(H,38,42)(H,39,41)(H2,35,45,46)/t28-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101505
(3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...)Show SMILES COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Show InChI InChI=1S/C29H43ClN4O7/c1-41-27(37)15-17-31-25(35)14-16-32-29(39)24(18-21-6-3-2-4-7-21)33-28(38)22(19-26(36)34-40)9-5-8-20-10-12-23(30)13-11-20/h10-13,21-22,24,40H,2-9,14-19H2,1H3,(H,31,35)(H,32,39)(H,33,38)(H,34,36)/t22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101516
(3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...)Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCC(O)=O Show InChI InChI=1S/C28H41ClN4O7/c29-22-11-9-19(10-12-22)7-4-8-21(18-25(35)33-40)27(38)32-23(17-20-5-2-1-3-6-20)28(39)31-15-13-24(34)30-16-14-26(36)37/h9-12,20-21,23,40H,1-8,13-18H2,(H,30,34)(H,31,39)(H,32,38)(H,33,35)(H,36,37)/t21-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50101508
(2-[3-(4-Chloro-phenyl)-propyl]-N*1*-(2-cyclohexyl-...)Show SMILES ONC(=O)C[C@@H](CCCc1ccc(Cl)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)NCCNS(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C31H49ClN6O8S/c32-26-11-9-23(10-12-26)7-4-8-25(22-29(40)37-43)30(41)36-27(21-24-5-2-1-3-6-24)31(42)34-14-13-28(39)33-15-16-35-47(44,45)38-17-19-46-20-18-38/h9-12,24-25,27,35,43H,1-8,13-22H2,(H,33,39)(H,34,42)(H,36,41)(H,37,40)/t25-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibitory constant against matrix metalloproteinase-2 |
J Med Chem 44: 2333-43 (2001)
BindingDB Entry DOI: 10.7270/Q2JH3KFR |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598325
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)N[C@@H]3C[C@H](F)C3)ncc2c(N)c1F |r,wU:20.21,22.24,(1.88,-.84,;3.21,-.07,;4.55,-.84,;4.55,-2.38,;5.88,-3.15,;7.21,-2.38,;7.21,-.84,;5.88,-.07,;5.88,1.47,;4.55,2.24,;3.21,1.47,;1.88,2.24,;.54,1.47,;-.79,2.24,;-2.12,1.47,;-3.46,2.24,;-4.79,1.47,;-4.79,-.07,;-3.46,-.84,;-6.12,-.84,;-6.12,-2.38,;-7.21,-3.47,;-6.12,-4.55,;-6.12,-6.09,;-5.03,-3.47,;-3.46,3.78,;-2.12,4.55,;-.79,3.78,;.54,4.55,;.54,6.09,;1.88,3.78,;3.21,4.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598194
((1r,3r)-3-Cyano-3-methylcyclobutyl(8- amino-7-fluo...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@](C)(C3)C#N)ncc2c(N)c1F |r,wU:22.24,wD:20.21,22.27,(2.55,-1.43,;3.88,-.66,;5.21,-1.43,;5.21,-2.97,;6.55,-3.74,;7.88,-2.97,;7.88,-1.43,;6.55,-.66,;6.55,.88,;5.21,1.65,;3.88,.88,;2.55,1.65,;1.21,.88,;-.12,1.65,;-1.46,.88,;-2.79,1.65,;-4.12,.88,;-5.46,1.65,;-5.46,3.19,;-6.79,.88,;-6.79,-.66,;-7.88,-1.75,;-6.79,-2.84,;-7.56,-4.17,;-5.7,-1.75,;-6.02,-4.17,;-5.25,-5.5,;-2.79,3.19,;-1.46,3.96,;-.12,3.19,;1.21,3.96,;1.21,5.5,;2.55,3.19,;3.88,3.96,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598197
((1r,3r)-3-(Methylamino)cyclobutyl(8- | US11612606,...)Show SMILES CN[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(NC(=O)OC(C)(C)C)c2cn1)-c1cnc2OCCNc2c1C |r,wU:4.6,wD:2.1,(-5.46,-7.63,;-6.79,-6.86,;-6.79,-5.32,;-5.7,-4.24,;-6.79,-3.15,;-7.88,-4.24,;-6.79,-1.61,;-5.46,-.84,;-5.46,.7,;-4.12,-1.61,;-2.79,-.84,;-1.46,-1.61,;-.12,-.84,;1.21,-1.61,;2.54,-.84,;2.54,.7,;3.88,1.47,;1.21,1.47,;1.21,3.01,;-.12,3.78,;-.12,5.32,;-1.46,3.01,;-2.79,3.78,;-2.02,5.12,;-3.56,2.45,;-4.12,4.55,;-.12,.7,;-1.46,1.47,;-2.79,.7,;3.88,-1.61,;5.21,-.84,;6.55,-1.61,;6.55,-3.15,;7.88,-3.92,;7.88,-5.46,;6.55,-6.23,;5.21,-5.46,;5.21,-3.92,;3.88,-3.15,;2.55,-3.92,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598204
((1R,5S,6s)-3-Oxabicyclo[3.1.0]hexan-6-yl(8-amino-7...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3[C@@H]4COC[C@@H]34)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598329
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES CO[C@@H]1COCC[C@@H]1NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598031
((R)-Tetrahydrofuran-3-yl(8-amino-7- | US11612606, ...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCOC3)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598056
(2-Methyl-2-azaspiro[3.3]heptan-6-yl(8- amino-7-flu...)Show SMILES CN1CC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598057
((R)-1-Acetylpyrrolidin-3-yl(8-amino-7- | US1161260...)Show SMILES CC(=O)N1CC[C@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598059
(1-(2,2,2-Trifluoroethyl)azetidin-3-yl(8- amino-7-f...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CN(CC(F)(F)F)C3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598060
(1-(Oxetan-3-yl)piperidin-4-yl(8-amino- 7-fluoro-6-...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CCN(CC3)C3COC3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598062
(7-Methyl-7-azaspiro[3.5]nonan-2-yl(8- amino-7-fluo...)Show SMILES CN1CCC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3CCCNc3c2C)CC1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598063
(2-Acetyl-2-azaspiro[3.3]heptan-6-yl(8- amino-7-flu...)Show SMILES CC(=O)N1CC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598064
(2-Methyl-2-azaspiro[3.3]heptan-6-yl(8- amino-7-flu...)Show SMILES CN1CC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3CCCNc3c2C)C1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598249
((1s,3s)-3-(Hydroxymethyl)cyclobutyl(8- amino-7-flu...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CO)C3)ncc2c(N)c1F |r,wD:20.21,22.24,(2.55,-1.61,;3.88,-.84,;5.21,-1.61,;5.21,-3.15,;6.55,-3.92,;7.88,-3.15,;7.88,-1.61,;6.55,-.84,;6.55,.7,;5.21,1.47,;3.88,.7,;2.55,1.47,;1.21,.7,;-.12,1.47,;-1.46,.7,;-2.79,1.47,;-4.12,.7,;-5.46,1.47,;-5.46,3.01,;-6.79,.7,;-6.79,-.84,;-5.7,-1.93,;-6.79,-3.01,;-6.79,-4.55,;-5.46,-5.32,;-7.88,-1.93,;-2.79,3.01,;-1.46,3.78,;-.12,3.01,;1.21,3.78,;1.21,5.32,;2.55,3.01,;3.88,3.78,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598250
((1s,3s)-3-(Methylsulfonyl)cyclobutyl(8- | US116126...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)S(C)(=O)=O)ncc2c(N)c1F |r,wU:20.21,22.26,(2.1,-.07,;3.44,.7,;4.77,-.07,;4.77,-1.61,;6.1,-2.38,;7.44,-1.61,;7.44,-.07,;6.1,.7,;6.1,2.24,;4.77,3.01,;3.44,2.24,;2.1,3.01,;.77,2.24,;-.56,3.01,;-1.9,2.24,;-3.23,3.01,;-4.56,2.24,;-4.56,.7,;-3.23,-.07,;-5.9,-.07,;-5.9,-1.61,;-4.81,-2.69,;-5.9,-3.78,;-6.99,-2.69,;-5.9,-5.32,;-5.9,-6.86,;-4.36,-5.32,;-7.44,-5.32,;-3.23,4.55,;-1.9,5.32,;-.56,4.55,;.77,5.32,;.77,6.86,;2.1,4.55,;3.44,5.32,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598254
((1R,3s)-3-((S)-1- Hydroxyethyl)cyclobutyl(8-amino-...)Show SMILES C[C@H](O)[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:3.2,1.1,wD:5.7,(-8,-5.32,;-6.67,-4.55,;-5.33,-5.32,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-.84,;-5.58,-1.93,;-6.67,.7,;-5.33,1.47,;-5.33,3.01,;-4,.7,;-2.67,1.47,;-1.33,.7,;,1.47,;1.33,.7,;2.67,1.47,;2.67,3.01,;4,3.78,;1.33,3.78,;1.33,5.32,;,3.01,;-1.33,3.78,;-2.67,3.01,;4,.7,;5.33,1.47,;6.67,.7,;6.67,-.84,;8,-1.61,;8,-3.15,;6.67,-3.92,;5.33,-3.15,;5.33,-1.61,;4,-.84,;2.67,-1.61,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598256
((1s,3s)-3-(2-Hydroxypropan-2- yl)cyclobutyl(8-amin...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)C(C)(C)O)ncc2c(N)c1F |r,wD:20.21,22.26,(2.67,-1.22,;4,-.45,;5.33,-1.22,;5.33,-2.76,;6.67,-3.53,;8,-2.76,;8,-1.22,;6.67,-.45,;6.67,1.09,;5.33,1.86,;4,1.09,;2.67,1.86,;1.33,1.09,;,1.86,;-1.33,1.09,;-2.67,1.86,;-4,1.09,;-5.33,1.86,;-5.33,3.4,;-6.67,1.09,;-6.67,-.45,;-7.76,-1.54,;-6.67,-2.63,;-5.58,-1.54,;-6.67,-4.17,;-5.33,-4.94,;-8,-4.94,;-6.67,-5.71,;-2.67,3.4,;-1.33,4.17,;,3.4,;1.33,4.17,;1.33,5.71,;2.67,3.4,;4,4.17,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598257
((1R,5S,9s)-7-(Oxetan-3-yl)-3-oxa-7- | US11612606, ...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3C4COCC3CN(C4)C3COC3)ncc2c(N)c1F |THB:29:27:20:22.24.23,19:20:28.27.26:22.24.23| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598258
((1r,3r)-3-Methoxycyclobutyl(8-amino-7- | US1161260...)Show SMILES CO[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:4.6,wD:2.1,(-8,-5.32,;-6.67,-4.55,;-6.67,-3.01,;-5.58,-1.93,;-6.67,-.84,;-7.76,-1.93,;-6.67,.7,;-5.33,1.47,;-5.33,3.01,;-4,.7,;-2.67,1.47,;-1.33,.7,;,1.47,;1.33,.7,;2.67,1.47,;2.67,3.01,;4,3.78,;1.33,3.78,;1.33,5.32,;,3.01,;-1.33,3.78,;-2.67,3.01,;4,.7,;5.33,1.47,;6.67,.7,;6.67,-.84,;8,-1.61,;8,-3.15,;6.67,-3.92,;5.33,-3.15,;5.33,-1.61,;4,-.84,;2.67,-1.61,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598260
((1r,3r)-3-(Difluoromethyl)cyclobutyl(8- amino-7-fl...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(F)F)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.67,-1.61,;4,-.84,;5.33,-1.61,;5.33,-3.15,;6.67,-3.92,;8,-3.15,;8,-1.61,;6.67,-.84,;6.67,.7,;5.33,1.47,;4,.7,;2.67,1.47,;1.33,.7,;,1.47,;-1.33,.7,;-2.67,1.47,;-4,.7,;-5.33,1.47,;-5.33,3.01,;-6.67,.7,;-6.67,-.84,;-5.58,-1.93,;-6.67,-3.01,;-7.76,-1.93,;-6.67,-4.55,;-8,-5.32,;-5.33,-5.32,;-2.67,3.01,;-1.33,3.78,;,3.01,;1.33,3.78,;1.33,5.32,;2.67,3.01,;4,3.78,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598264
(7-Azaspiro[3.5]nonan-2-yl(8-amino-7- fluoro-6-(8-m...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CCNCC4)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598065
(1-Acetylazetidin-3-yl(8-amino-7-fluoro- 6-(8-methy...)Show SMILES CC(=O)N1CC(C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598066
(7-Methyl-7-azaspiro[3.5]nonan-2-yl(8- amino-7-fluo...)Show SMILES CN1CCC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)CC1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598067
(6-Methyl-6-azaspiro[3.4]octan-2-yl(8- amino-7-fluo...)Show SMILES CN1CCC2(CC(C2)OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 |(-5.17,-6.02,;-5.94,-4.69,;-7.48,-4.69,;-7.96,-3.22,;-6.71,-2.32,;-7.8,-1.23,;-6.71,-.14,;-5.62,-1.23,;-6.71,1.4,;-5.38,2.17,;-5.38,3.71,;-4.04,1.4,;-2.71,2.17,;-1.38,1.4,;-.04,2.17,;1.29,1.4,;2.62,2.17,;2.62,3.71,;3.96,4.48,;1.29,4.48,;1.29,6.02,;-.04,3.71,;-1.38,4.48,;-2.71,3.71,;3.96,1.4,;5.29,2.17,;6.62,1.4,;6.62,-.14,;7.96,-.91,;7.96,-2.45,;6.62,-3.22,;5.29,-2.45,;5.29,-.91,;3.96,-.14,;2.62,-.91,;-5.47,-3.22,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598069
(7-(Oxetan-3-yl)-7-azaspiro[3.5]nonan-2- yl(8-amino...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CCN(CC4)C3COC3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598071
((1R,5S,6r)-3-Methyl-3- | US11612606, Compound 432a)Show SMILES CN1C[C@H]2[C@@H](C1)[C@@H]2OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598072
((cis)-3-Fluoro-1-methylpiperidin-4-yl(8- amino-7-f...)Show SMILES CN1CCC(OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C(F)C1 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598073
(1-(2,2-Difluoroethypazetidin-3-yl(8- amino-7-fluor...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CN(CC(F)F)C3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598076
((3S,4R)-1-Acetyl-3-fluoropiperidin-4-yl | US116126...)Show SMILES CC(=O)N1CC[C@H](OC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C(F)C1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598078
((1R,5S,9s)-7-Methyl-3-oxa-7- | US11612606, Compoun...)Show SMILES CN1CC2COC[C@H](C1)C2OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,TLB:0:1:9:6.4.5,THB:10:9:6.4.5:2.8.1| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598082
((trans)-4-Methyltetrahydrofuran-3-yl(8- | US116126...)Show SMILES C[C@H]1COC[C@H]1OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598083
(US11612606, Compound 441b | amino-7-fluoro-6-(8-me...)Show SMILES C[C@@H]1COCC1OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598090
(2-(Oxetan-3-yl)-2-azaspiro[3.3]heptan-6- yl(8-amin...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)OC3CC4(C3)CN(C4)C3COC3)ncc2c(N)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598091
((S)-1-Methyl-5-oxopyrrolidin-3-yl(8- | US11612606,...)Show SMILES CCc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CN(C)C(=O)C3)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598092
(US11612606, Compound 444b | amino-6-(8-ethyl-2,3-d...)Show SMILES CCc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CN(C)C(=O)C3)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598093
((+1-)-trans-3-Fluoro-1-(oxetan-3-yl)piperidin-4-yl...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3CCN(C[C@@H]3F)C3COC3)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598095
(US11612606, Compound 445d | yl(8-amino-7-fluoro-6-...)Show SMILES Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3CCN(C[C@@H]3F)C3COC3)ncc2c(N)c1F |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598096
((1r,3r)-3-(Dimethylamino)cyclobutyl(8- | US1161260...)Show SMILES CN(C)[C@H]1C[C@@H](C1)OC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r,wU:5.7,wD:3.2,(-5.33,-5.32,;-6.67,-4.55,;-8,-5.32,;-6.67,-3.01,;-5.58,-1.93,;-6.67,-.84,;-7.76,-1.93,;-6.67,.7,;-5.33,1.47,;-5.33,3.01,;-4,.7,;-2.67,1.47,;-1.33,.7,;,1.47,;1.33,.7,;2.67,1.47,;2.67,3.01,;4,3.78,;1.33,3.78,;1.33,5.32,;,3.01,;-1.33,3.78,;-2.67,3.01,;4,.7,;5.33,1.47,;6.67,.7,;6.67,-.84,;8,-1.61,;8,-3.15,;6.67,-3.92,;5.33,-3.15,;5.33,-1.61,;4,-.84,;2.67,-1.61,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598099
(US11612606, Compound 451b | yl)methyl(8-amino-7-fl...)Show SMILES CN1CC[C@@](F)(COC(=O)Nc2cc3cc(c(F)c(N)c3cn2)-c2cnc3OCCNc3c2C)C1 |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598308
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES COC1CCC(C1)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598309
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)Show SMILES CO[C@@H]1CC[C@H](C1)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598310
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3- dihydro-1H-py...)Show SMILES CO[C@H]1CC[C@@H](C1)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598311
(1-(8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyr...)Show SMILES CO[C@@H]1CC[C@@H](C1)NC(=O)Nc1cc2cc(c(F)c(N)c2cn1)-c1cnc2OCCNc2c1C |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM598312
(1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro...)Show SMILES Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@H](F)C3)ncc2c(N)c1F |r,wU:20.21,wD:22.24,(1.88,-.84,;3.21,-.07,;4.55,-.84,;4.55,-2.38,;5.88,-3.15,;7.21,-2.38,;7.21,-.84,;5.88,-.07,;5.88,1.47,;4.55,2.24,;3.21,1.47,;1.88,2.24,;.54,1.47,;-.79,2.24,;-2.12,1.47,;-3.46,2.24,;-4.79,1.47,;-4.79,-.07,;-3.46,-.84,;-6.12,-.84,;-6.12,-2.38,;-5.03,-3.47,;-6.12,-4.55,;-6.12,-6.09,;-7.21,-3.47,;-3.46,3.78,;-2.12,4.55,;-.79,3.78,;.54,4.55,;.54,6.09,;1.88,3.78,;3.21,4.55,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20Z776H |
More data for this
Ligand-Target Pair | |
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