Found 155 hits Enz. Inhib. hit(s) with all data for entry = 50003313 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 |
|---|
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of AXL (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human FLT3 cytoplasmic domain (564 to 993 end residues) expressed in baculovirus expression system using fluorece... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human MERTK cytoplasmic domain (528 to 999 end residues) expressed in baculovirus expression system using fluorec... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human MERTK cytoplasmic domain (528 to 999 end residues) expressed in baculovirus expression system using fluorec... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50469376
(CHEMBL4284541)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1(CC1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(16.6,-19.72,;16.59,-21.26,;17.92,-22.04,;19.25,-21.27,;20.58,-22.04,;21.91,-21.27,;21.91,-19.73,;23.24,-18.96,;24.58,-19.72,;26.05,-19.24,;26.96,-20.49,;26.05,-21.75,;26.8,-23.09,;28.33,-23.11,;29.08,-24.47,;28.28,-25.78,;29.02,-27.13,;26.74,-25.75,;26,-24.41,;24.58,-21.27,;23.25,-22.04,;26.76,-17.88,;28.3,-17.82,;29.01,-16.45,;28.19,-15.15,;26.64,-15.22,;25.94,-16.59,;28.9,-13.79,;27.4,-13.38,;28.5,-12.29,;30.44,-13.72,;31.26,-15.03,;32.79,-14.97,;33.51,-13.6,;35.05,-13.54,;32.69,-12.3,;31.14,-12.36,)| Show InChI InChI=1S/C30H42N6O/c1-3-4-15-31-29-32-20-26-27(21-36(28(26)33-29)24-9-11-25(37)12-10-24)22-5-7-23(8-6-22)30(13-14-30)35-18-16-34(2)17-19-35/h5-8,20-21,24-25,37H,3-4,9-19H2,1-2H3,(H,31,32,33)/t24-,25- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469360
(CHEMBL4289301)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccnc(c1)N1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.16,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.25,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.29,-18.68,;18.03,-20.03,;15.75,-18.64,;15.01,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;17.31,-10.71,;19.56,-9.28,;20.38,-10.58,;21.91,-10.52,;22.64,-9.16,;21.81,-7.86,;20.27,-7.91,)| Show InChI InChI=1S/C26H37N7O/c1-3-4-18(2)30-26-29-16-22-23(17-33(25(22)31-26)20-5-7-21(34)8-6-20)19-9-10-28-24(15-19)32-13-11-27-12-14-32/h9-10,15-18,20-21,27,34H,3-8,11-14H2,1-2H3,(H,29,30,31)/t18-,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469376
(CHEMBL4284541)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1(CC1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(16.6,-19.72,;16.59,-21.26,;17.92,-22.04,;19.25,-21.27,;20.58,-22.04,;21.91,-21.27,;21.91,-19.73,;23.24,-18.96,;24.58,-19.72,;26.05,-19.24,;26.96,-20.49,;26.05,-21.75,;26.8,-23.09,;28.33,-23.11,;29.08,-24.47,;28.28,-25.78,;29.02,-27.13,;26.74,-25.75,;26,-24.41,;24.58,-21.27,;23.25,-22.04,;26.76,-17.88,;28.3,-17.82,;29.01,-16.45,;28.19,-15.15,;26.64,-15.22,;25.94,-16.59,;28.9,-13.79,;27.4,-13.38,;28.5,-12.29,;30.44,-13.72,;31.26,-15.03,;32.79,-14.97,;33.51,-13.6,;35.05,-13.54,;32.69,-12.3,;31.14,-12.36,)| Show InChI InChI=1S/C30H42N6O/c1-3-4-15-31-29-32-20-26-27(21-36(28(26)33-29)24-9-11-25(37)12-10-24)22-5-7-23(8-6-22)30(13-14-30)35-18-16-34(2)17-19-35/h5-8,20-21,24-25,37H,3-4,9-19H2,1-2H3,(H,31,32,33)/t24-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50469375
(CHEMBL4283152)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(20.68,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26,-21.97,;26,-20.42,;27.33,-19.65,;28.67,-20.42,;30.14,-19.94,;31.05,-21.19,;30.14,-22.45,;30.89,-23.79,;32.43,-23.81,;33.17,-25.17,;32.37,-26.48,;33.11,-27.83,;30.83,-26.45,;30.09,-25.11,;28.67,-21.97,;27.34,-22.74,;30.85,-18.57,;32.39,-18.52,;33.11,-17.15,;32.28,-15.85,;30.74,-15.92,;30.03,-17.28,;32.99,-14.48,;34.53,-14.42,;35.23,-13.06,;34.41,-11.76,;35.12,-10.39,;32.87,-11.83,;32.16,-13.19,)| Show InChI InChI=1S/C27H38N6O/c1-3-4-13-28-27-29-18-24-25(19-33(26(24)30-27)22-9-11-23(34)12-10-22)20-5-7-21(8-6-20)32-16-14-31(2)15-17-32/h5-8,18-19,22-23,34H,3-4,9-17H2,1-2H3,(H,28,29,30)/t22-,23- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human AXL cytoplasmic domain (464 to 885 end residues) expressed in baculovirus expression system using fluorecen... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TRKA cytoplasmic domain (436 to 790 end residues) expressed in baculovirus expression system using fluorece... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469354
(CHEMBL4286701)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)| Show InChI InChI=1S/C30H41N5O/c1-3-4-20(2)32-30-31-17-27-28(19-35(29(27)33-30)25-13-15-26(36)16-14-25)22-7-5-21(6-8-22)18-34-23-9-10-24(34)12-11-23/h5-8,17,19-20,23-26,36H,3-4,9-16,18H2,1-2H3,(H,31,32,33)/t20-,23?,24?,25-,26-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469362
(CHEMBL4293116)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cnn(c1)C1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(3.25,-24.71,;4.58,-23.95,;5.92,-24.72,;7.25,-23.95,;7.25,-22.41,;8.58,-24.72,;9.92,-23.95,;9.92,-22.41,;11.25,-21.64,;12.59,-22.4,;14.06,-21.92,;14.97,-23.17,;14.06,-24.43,;14.81,-25.77,;16.34,-25.79,;17.09,-27.15,;16.29,-28.47,;17.03,-29.82,;14.75,-28.43,;14.01,-27.09,;12.59,-23.95,;11.25,-24.72,;14.77,-20.56,;14.08,-19.18,;15.18,-18.1,;16.55,-18.81,;16.29,-20.33,;17.92,-18.14,;19.2,-18.99,;20.58,-18.31,;20.68,-16.78,;19.4,-15.92,;18.01,-16.6,)| Show InChI InChI=1S/C25H37N7O/c1-3-4-17(2)29-25-27-14-22-23(18-13-28-32(15-18)20-9-11-26-12-10-20)16-31(24(22)30-25)19-5-7-21(33)8-6-19/h13-17,19-21,26,33H,3-12H2,1-2H3,(H,27,29,30)/t17-,19-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469358
(CHEMBL4277564)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)| Show InChI InChI=1S/C30H46N6O/c1-5-8-22(4)33-30-32-20-27-28(21-36(29(27)34-30)25-13-15-26(37)16-14-25)24-11-9-23(10-12-24)19-31-17-18-35(6-2)7-3/h9-12,20-22,25-26,31,37H,5-8,13-19H2,1-4H3,(H,32,33,34)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human FLT3 cytoplasmic domain (564 to 993 end residues) expressed in baculovirus expression system using fluorece... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469372
(CHEMBL4280761)Show SMILES CCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:14.13,wD:17.17,4.4,(29.82,-8.23,;31.15,-9,;32.48,-8.23,;33.82,-9,;35.15,-8.23,;35.15,-6.69,;36.48,-9,;37.82,-8.23,;37.82,-6.69,;39.15,-5.92,;40.48,-6.68,;41.96,-6.2,;42.87,-7.46,;41.96,-8.71,;42.71,-10.05,;44.24,-10.08,;44.99,-11.43,;44.19,-12.75,;44.93,-14.1,;42.65,-12.72,;41.91,-11.37,;40.48,-8.23,;39.15,-9,;42.67,-4.84,;44.21,-4.78,;44.93,-3.42,;44.1,-2.11,;44.81,-.75,;46.35,-.68,;47.17,-1.99,;48.71,-1.93,;49.42,-.56,;50.96,-.5,;48.6,.75,;47.06,.69,;42.55,-2.18,;41.85,-3.55,)| Show InChI InChI=1S/C30H44N6O/c1-4-5-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-17-15-34(3)16-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469349
(CHEMBL4281432)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cccc(c1)N1CCN(C)CC1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.15,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.24,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.28,-18.68,;18.03,-20.03,;15.74,-18.64,;15,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;17.31,-10.7,;19.56,-9.28,;20.38,-10.58,;21.91,-10.52,;22.63,-9.16,;24.17,-9.1,;21.81,-7.86,;20.27,-7.91,)| Show InChI InChI=1S/C28H40N6O/c1-4-6-20(2)30-28-29-18-25-26(19-34(27(25)31-28)22-9-11-24(35)12-10-22)21-7-5-8-23(17-21)33-15-13-32(3)14-16-33/h5,7-8,17-20,22,24,35H,4,6,9-16H2,1-3H3,(H,29,30,31)/t20-,22-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TYRO3 cytoplasmic domain (453 to 890 end residues) expressed in baculovirus expression system using fluorec... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469370
(CHEMBL4291202)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCOCC2)cc1 |r,wU:13.12,wD:16.16,3.3,(-2.13,-9.06,;-.79,-8.29,;.55,-9.06,;1.88,-8.29,;1.89,-6.75,;3.22,-9.06,;4.55,-8.29,;4.55,-6.75,;5.88,-5.98,;7.22,-6.74,;8.69,-6.26,;9.6,-7.52,;8.69,-8.77,;9.44,-10.11,;10.97,-10.14,;11.72,-11.49,;10.92,-12.81,;11.66,-14.16,;9.38,-12.77,;8.64,-11.43,;7.22,-8.29,;5.88,-9.06,;9.4,-4.9,;10.94,-4.84,;11.66,-3.48,;10.83,-2.18,;11.54,-.81,;13.08,-.74,;13.9,-2.05,;15.43,-1.99,;16.15,-.63,;15.33,.69,;13.79,.63,;9.28,-2.24,;8.58,-3.61,)| Show InChI InChI=1S/C28H39N5O2/c1-3-4-20(2)30-28-29-17-25-26(19-33(27(25)31-28)23-9-11-24(34)12-10-23)22-7-5-21(6-8-22)18-32-13-15-35-16-14-32/h5-8,17,19-20,23-24,34H,3-4,9-16,18H2,1-2H3,(H,29,30,31)/t20-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50469364
(CHEMBL4291006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wU:12.11,wD:15.15,(20.69,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26.01,-21.97,;26.01,-20.43,;27.34,-19.66,;28.67,-20.42,;30.15,-19.94,;31.06,-21.2,;30.15,-22.45,;30.89,-23.79,;32.43,-23.82,;33.17,-25.17,;32.37,-26.49,;33.12,-27.84,;30.84,-26.45,;30.1,-25.11,;28.67,-21.97,;27.34,-22.74,;30.86,-18.58,;32.4,-18.52,;33.11,-17.16,;32.29,-15.85,;32.99,-14.49,;34.53,-14.42,;35.35,-15.72,;36.88,-15.66,;37.6,-14.3,;36.78,-12.99,;35.23,-13.05,;30.74,-15.92,;30.03,-17.29,)| Show InChI InChI=1S/C27H38N6O/c1-2-3-14-29-27-30-17-24-25(18-33(26(24)32-27)22-8-10-23(34)11-9-22)19-4-6-20(7-5-19)31-21-12-15-28-16-13-21/h4-7,17-18,21-23,28,31,34H,2-3,8-16H2,1H3,(H,29,30,32)/t22-,23- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) using 5'-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469354
(CHEMBL4286701)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2C3CCC2CC3)cc1 |r,wU:13.12,wD:16.16,3.3,(1.56,-13,;2.9,-12.23,;4.23,-13,;5.56,-12.23,;5.57,-10.69,;6.9,-13,;8.23,-12.23,;8.23,-10.69,;9.56,-9.92,;10.9,-10.68,;12.37,-10.2,;13.29,-11.45,;12.37,-12.71,;13.12,-14.05,;14.66,-14.08,;15.4,-15.43,;14.6,-16.75,;15.34,-18.1,;13.06,-16.71,;12.32,-15.37,;10.9,-12.23,;9.57,-13,;13.09,-8.84,;14.63,-8.78,;15.34,-7.41,;14.51,-6.11,;15.23,-4.75,;16.76,-4.68,;19.39,-4.51,;20.2,-5.75,;19.01,-5.26,;18.13,-4.25,;18.77,-2.81,;19.88,-3.2,;12.97,-6.18,;12.26,-7.55,)| Show InChI InChI=1S/C30H41N5O/c1-3-4-20(2)32-30-31-17-27-28(19-35(29(27)33-30)25-13-15-26(36)16-14-25)22-7-5-21(6-8-22)18-34-23-9-10-24(34)12-11-23/h5-8,17,19-20,23-26,36H,3-4,9-16,18H2,1-2H3,(H,31,32,33)/t20-,23?,24?,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469366
(CHEMBL4282624)Show SMILES CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)| Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469375
(CHEMBL4283152)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(20.68,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26,-21.97,;26,-20.42,;27.33,-19.65,;28.67,-20.42,;30.14,-19.94,;31.05,-21.19,;30.14,-22.45,;30.89,-23.79,;32.43,-23.81,;33.17,-25.17,;32.37,-26.48,;33.11,-27.83,;30.83,-26.45,;30.09,-25.11,;28.67,-21.97,;27.34,-22.74,;30.85,-18.57,;32.39,-18.52,;33.11,-17.15,;32.28,-15.85,;30.74,-15.92,;30.03,-17.28,;32.99,-14.48,;34.53,-14.42,;35.23,-13.06,;34.41,-11.76,;35.12,-10.39,;32.87,-11.83,;32.16,-13.19,)| Show InChI InChI=1S/C27H38N6O/c1-3-4-13-28-27-29-18-24-25(19-33(26(24)30-27)22-9-11-23(34)12-10-22)20-5-7-21(8-6-20)32-16-14-31(2)15-17-32/h5-8,18-19,22-23,34H,3-4,9-17H2,1-2H3,(H,28,29,30)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469368
(CHEMBL4284392)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1F)S(=O)(=O)N1CCN(C)CC1 |r,wU:13.12,wD:16.16,3.3,(.63,-11.6,;1.96,-10.83,;3.3,-11.6,;4.63,-10.83,;4.63,-9.29,;5.96,-11.6,;7.3,-10.83,;7.3,-9.29,;8.63,-8.52,;9.96,-9.28,;11.44,-8.8,;12.35,-10.05,;11.44,-11.31,;12.19,-12.65,;13.72,-12.67,;14.47,-14.03,;13.67,-15.35,;14.41,-16.7,;12.13,-15.31,;11.39,-13.97,;9.96,-10.83,;8.63,-11.6,;12.15,-7.44,;13.69,-7.38,;14.41,-6.01,;13.58,-4.71,;12.03,-4.78,;11.33,-6.15,;9.79,-6.21,;14.29,-3.34,;12.95,-2.57,;14.28,-1.8,;15.83,-3.28,;16.65,-4.59,;18.19,-4.53,;18.91,-3.16,;20.45,-3.1,;18.09,-1.86,;16.54,-1.92,)| Show InChI InChI=1S/C28H39FN6O3S/c1-4-5-19(2)31-28-30-17-24-25(18-35(27(24)32-28)20-6-8-21(36)9-7-20)23-11-10-22(16-26(23)29)39(37,38)34-14-12-33(3)13-15-34/h10-11,16-21,36H,4-9,12-15H2,1-3H3,(H,30,31,32)/t19-,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469371
(CHEMBL4288009)Show SMILES CCCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:15.14,wD:18.18,5.5,(16.65,-22.53,;17.99,-21.76,;19.32,-22.53,;20.65,-21.76,;21.99,-22.53,;23.32,-21.76,;23.32,-20.22,;24.65,-22.54,;25.99,-21.77,;25.99,-20.22,;27.32,-19.45,;28.65,-20.22,;30.13,-19.74,;31.04,-20.99,;30.13,-22.24,;30.88,-23.59,;32.41,-23.61,;33.16,-24.97,;32.36,-26.28,;33.1,-27.63,;30.82,-26.25,;30.08,-24.91,;28.66,-21.77,;27.32,-22.54,;30.84,-18.37,;32.38,-18.31,;33.1,-16.95,;32.27,-15.65,;32.98,-14.28,;34.52,-14.21,;35.34,-15.52,;36.88,-15.46,;37.6,-14.1,;39.13,-14.04,;36.77,-12.79,;35.23,-12.85,;30.72,-15.72,;30.02,-17.08,)| Show InChI InChI=1S/C31H46N6O/c1-4-5-6-7-23(2)33-31-32-20-28-29(22-37(30(28)34-31)26-12-14-27(38)15-13-26)25-10-8-24(9-11-25)21-36-18-16-35(3)17-19-36/h8-11,20,22-23,26-27,38H,4-7,12-19,21H2,1-3H3,(H,32,33,34)/t23-,26-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TRKA cytoplasmic domain (436 to 790 end residues) expressed in baculovirus expression system using fluorece... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469367
(CHEMBL4294601)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)| Show InChI InChI=1S/C30H44N6O/c1-5-6-21(2)32-30-31-17-27-28(20-36(29(27)33-30)24-11-13-26(37)14-12-24)23-9-7-22(8-10-23)18-35-16-15-25(19-35)34(3)4/h7-10,17,20-21,24-26,37H,5-6,11-16,18-19H2,1-4H3,(H,31,32,33)/t21-,24-,25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469372
(CHEMBL4280761)Show SMILES CCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:14.13,wD:17.17,4.4,(29.82,-8.23,;31.15,-9,;32.48,-8.23,;33.82,-9,;35.15,-8.23,;35.15,-6.69,;36.48,-9,;37.82,-8.23,;37.82,-6.69,;39.15,-5.92,;40.48,-6.68,;41.96,-6.2,;42.87,-7.46,;41.96,-8.71,;42.71,-10.05,;44.24,-10.08,;44.99,-11.43,;44.19,-12.75,;44.93,-14.1,;42.65,-12.72,;41.91,-11.37,;40.48,-8.23,;39.15,-9,;42.67,-4.84,;44.21,-4.78,;44.93,-3.42,;44.1,-2.11,;44.81,-.75,;46.35,-.68,;47.17,-1.99,;48.71,-1.93,;49.42,-.56,;50.96,-.5,;48.6,.75,;47.06,.69,;42.55,-2.18,;41.85,-3.55,)| Show InChI InChI=1S/C30H44N6O/c1-4-5-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-17-15-34(3)16-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469357
(CHEMBL4287582)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(.92,-10.8,;2.25,-10.03,;3.58,-10.8,;4.92,-10.04,;4.92,-8.5,;6.25,-10.81,;7.59,-10.04,;7.59,-8.49,;8.92,-7.72,;10.25,-8.49,;11.73,-8.01,;12.64,-9.26,;11.73,-10.51,;12.47,-11.86,;14.01,-11.88,;14.75,-13.24,;13.96,-14.56,;14.7,-15.91,;12.42,-14.52,;11.68,-13.18,;10.25,-10.04,;8.92,-10.81,;12.44,-6.64,;13.98,-6.58,;14.69,-5.22,;13.87,-3.92,;14.58,-2.55,;16.12,-2.49,;16.94,-3.79,;18.47,-3.73,;19.19,-2.37,;20.73,-2.31,;18.37,-1.07,;16.82,-1.13,;12.32,-3.99,;11.62,-5.35,)| Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308455
(US9649309, Compound UNC2541A)Show SMILES N[C@H]1CCCCNc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C24H34FN7O2/c25-18-10-8-17(9-11-18)15-30-22(33)19-16-31-24-29-14-5-2-1-4-13-28-23(34)20(26)7-3-6-12-27-21(19)32-24/h8-11,16,20H,1-7,12-15,26H2,(H,28,34)(H,30,33)(H2,27,29,31,32)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469358
(CHEMBL4277564)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CNCCN(CC)CC)cc1 |r,wU:13.12,wD:16.16,3.3,(2.68,-16.5,;4.01,-15.73,;5.34,-16.5,;6.68,-15.73,;6.68,-14.19,;8.01,-16.5,;9.34,-15.73,;9.35,-14.19,;10.67,-13.42,;12.01,-14.18,;13.49,-13.7,;14.4,-14.95,;13.49,-16.21,;14.23,-17.55,;15.77,-17.58,;16.51,-18.93,;15.71,-20.25,;16.46,-21.6,;14.17,-20.21,;13.44,-18.87,;12.01,-15.73,;10.68,-16.5,;14.2,-12.34,;15.74,-12.28,;16.45,-10.91,;15.63,-9.61,;16.34,-8.25,;17.89,-8.19,;18.71,-9.49,;20.25,-9.43,;21.07,-10.73,;20.36,-12.09,;18.82,-12.15,;22.61,-10.66,;23.33,-9.3,;14.08,-9.68,;13.37,-11.05,)| Show InChI InChI=1S/C30H46N6O/c1-5-8-22(4)33-30-32-20-27-28(21-36(29(27)34-30)25-13-15-26(37)16-14-25)24-11-9-23(10-12-24)19-31-17-18-35(6-2)7-3/h9-12,20-22,25-26,31,37H,5-8,13-19H2,1-4H3,(H,32,33,34)/t22-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TRKC cytoplasmic domain (456 to 825 end residues) expressed in baculovirus expression system using fluorece... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469369
(CHEMBL4295042)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wU:13.12,wD:16.16,3.3,(18.56,-12.04,;19.89,-11.27,;21.22,-12.04,;22.56,-11.27,;22.56,-9.73,;23.89,-12.04,;25.22,-11.27,;25.23,-9.73,;26.55,-8.96,;27.89,-9.72,;29.36,-9.24,;30.28,-10.5,;29.37,-11.75,;30.11,-13.09,;31.65,-13.12,;32.39,-14.47,;31.59,-15.79,;32.33,-17.14,;30.05,-15.76,;29.31,-14.41,;27.89,-11.27,;26.56,-12.04,;30.08,-7.88,;31.62,-7.82,;32.33,-6.46,;31.5,-5.15,;32.21,-3.79,;33.75,-3.72,;34.58,-5.03,;36.12,-4.97,;36.84,-3.61,;36.01,-2.3,;34.46,-2.36,;29.96,-5.22,;29.25,-6.59,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-19(2)31-28-30-17-25-26(18-34(27(25)33-28)23-9-11-24(35)12-10-23)20-5-7-21(8-6-20)32-22-13-15-29-16-14-22/h5-8,17-19,22-24,29,32,35H,3-4,9-16H2,1-2H3,(H,30,31,33)/t19-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469359
(CHEMBL4288213)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1cccc(CN2CCN(C)CC2)c1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.15,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.25,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.29,-18.68,;18.03,-20.03,;15.75,-18.64,;15.01,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;19.56,-9.28,;20.39,-10.58,;19.66,-11.95,;20.48,-13.25,;22.02,-13.19,;22.84,-14.49,;22.74,-11.83,;21.92,-10.52,;17.31,-10.71,)| Show InChI InChI=1S/C29H42N6O/c1-4-6-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-9-11-25(36)12-10-24)23-8-5-7-22(17-23)19-34-15-13-33(3)14-16-34/h5,7-8,17-18,20-21,24-25,36H,4,6,9-16,19H2,1-3H3,(H,30,31,32)/t21-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469350
(CHEMBL4284846)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccnc(c1)C(=O)OC |r,wU:13.12,wD:16.16,3.3,(1.51,-9.85,;2.84,-9.08,;4.18,-9.86,;5.51,-9.09,;5.51,-7.55,;6.84,-9.86,;8.18,-9.09,;8.18,-7.54,;9.51,-6.77,;10.84,-7.54,;12.32,-7.06,;13.23,-8.31,;12.32,-9.57,;13.07,-10.91,;14.6,-10.93,;15.35,-12.29,;14.55,-13.61,;15.29,-14.96,;13.01,-13.57,;12.27,-12.23,;10.84,-9.09,;9.51,-9.86,;13.03,-5.69,;12.21,-4.4,;12.91,-3.04,;14.46,-2.97,;15.28,-4.27,;14.57,-5.63,;16.82,-4.21,;17.54,-2.84,;17.65,-5.51,;16.93,-6.87,)| Show InChI InChI=1S/C24H31N5O3/c1-4-5-15(2)27-24-26-13-19-20(16-10-11-25-21(12-16)23(31)32-3)14-29(22(19)28-24)17-6-8-18(30)9-7-17/h10-15,17-18,30H,4-9H2,1-3H3,(H,26,27,28)/t15-,17-,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469364
(CHEMBL4291006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(NC2CCNCC2)cc1 |r,wU:12.11,wD:15.15,(20.69,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26.01,-21.97,;26.01,-20.43,;27.34,-19.66,;28.67,-20.42,;30.15,-19.94,;31.06,-21.2,;30.15,-22.45,;30.89,-23.79,;32.43,-23.82,;33.17,-25.17,;32.37,-26.49,;33.12,-27.84,;30.84,-26.45,;30.1,-25.11,;28.67,-21.97,;27.34,-22.74,;30.86,-18.58,;32.4,-18.52,;33.11,-17.16,;32.29,-15.85,;32.99,-14.49,;34.53,-14.42,;35.35,-15.72,;36.88,-15.66,;37.6,-14.3,;36.78,-12.99,;35.23,-13.05,;30.74,-15.92,;30.03,-17.29,)| Show InChI InChI=1S/C27H38N6O/c1-2-3-14-29-27-30-17-24-25(18-33(26(24)32-27)22-8-10-23(34)11-9-22)19-4-6-20(7-5-19)31-21-12-15-28-16-13-21/h4-7,17-18,21-23,28,31,34H,2-3,8-16H2,1H3,(H,29,30,32)/t22-,23- | PDB
MMDB
Reactome pathway
KEGG
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| Article
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50469347
(CHEMBL4287078)Show SMILES CCC(C)CNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(15.26,-22.05,;16.59,-21.28,;17.93,-22.05,;17.93,-23.59,;19.26,-21.28,;20.59,-22.05,;21.93,-21.28,;21.93,-19.74,;23.26,-18.97,;24.6,-19.73,;26.07,-19.25,;26.98,-20.51,;26.07,-21.76,;26.82,-23.11,;28.36,-23.13,;29.1,-24.48,;28.3,-25.8,;29.04,-27.15,;26.76,-25.77,;26.02,-24.42,;24.6,-21.28,;23.26,-22.06,;26.78,-17.89,;28.32,-17.83,;29.04,-16.47,;28.21,-15.17,;28.92,-13.8,;30.46,-13.73,;31.29,-15.04,;32.82,-14.98,;33.54,-13.61,;35.07,-13.55,;32.71,-12.31,;31.17,-12.37,;26.66,-15.24,;25.96,-16.6,)| Show InChI InChI=1S/C29H42N6O/c1-4-21(2)17-30-29-31-18-26-27(20-35(28(26)32-29)24-9-11-25(36)12-10-24)23-7-5-22(6-8-23)19-34-15-13-33(3)14-16-34/h5-8,18,20-21,24-25,36H,4,9-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of MERTK (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase SIK2
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | UniProtKB/SwissProt
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| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged full length human QIK (1 to 926 end residues) expressed in baculovirus expression system using fluorecence-labele... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
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| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TYRO3 cytoplasmic domain (453 to 890 end residues) expressed in baculovirus expression system using fluorec... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
STE20-like serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
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| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged full length human SLK (1 to 1152 end residues) expressed in baculovirus expression system using fluorecence-label... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469377
(CHEMBL4279154)Show SMILES CCC(CC)CNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:14.13,wD:17.17,(15.26,-22.05,;16.59,-21.28,;17.93,-22.05,;17.93,-23.59,;16.59,-24.36,;19.26,-21.28,;20.59,-22.05,;21.93,-21.28,;21.93,-19.74,;23.26,-18.97,;24.6,-19.73,;26.07,-19.25,;26.98,-20.51,;26.07,-21.76,;26.82,-23.11,;28.36,-23.13,;29.1,-24.48,;28.3,-25.8,;29.04,-27.15,;26.76,-25.77,;26.02,-24.42,;24.6,-21.28,;23.26,-22.06,;26.78,-17.89,;28.32,-17.83,;29.04,-16.47,;28.21,-15.17,;28.92,-13.8,;30.46,-13.73,;31.29,-15.04,;32.82,-14.98,;33.54,-13.61,;35.07,-13.55,;32.71,-12.31,;31.17,-12.37,;26.66,-15.24,;25.96,-16.6,)| Show InChI InChI=1S/C30H44N6O/c1-4-22(5-2)18-31-30-32-19-27-28(21-36(29(27)33-30)25-10-12-26(37)13-11-25)24-8-6-23(7-9-24)20-35-16-14-34(3)15-17-35/h6-9,19,21-22,25-26,37H,4-5,10-18,20H2,1-3H3,(H,31,32,33)/t25-,26- | PDB
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469366
(CHEMBL4282624)Show SMILES CCCC(C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,(1.79,-13.98,;3.12,-13.21,;4.46,-13.99,;5.79,-13.22,;5.79,-11.68,;7.12,-13.99,;8.46,-13.22,;8.46,-11.67,;9.79,-10.9,;11.12,-11.67,;12.6,-11.19,;13.51,-12.44,;12.6,-13.7,;13.35,-15.04,;14.88,-15.06,;15.63,-16.42,;14.83,-17.74,;15.57,-19.09,;13.29,-17.7,;12.55,-16.36,;11.12,-13.22,;9.79,-13.99,;13.31,-9.82,;14.85,-9.76,;15.56,-8.4,;14.74,-7.1,;15.45,-5.73,;16.99,-5.67,;17.81,-6.97,;19.34,-6.91,;20.06,-5.55,;21.6,-5.49,;19.24,-4.25,;17.7,-4.31,;13.19,-7.17,;12.49,-8.53,)| Show InChI InChI=1S/C29H42N6O/c1-4-5-21(2)31-29-30-18-26-27(20-35(28(26)32-29)24-10-12-25(36)13-11-24)23-8-6-22(7-9-23)19-34-16-14-33(3)15-17-34/h6-9,18,20-21,24-25,36H,4-5,10-17,19H2,1-3H3,(H,30,31,32)/t21?,24-,25- | PDB
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| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469371
(CHEMBL4288009)Show SMILES CCCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:15.14,wD:18.18,5.5,(16.65,-22.53,;17.99,-21.76,;19.32,-22.53,;20.65,-21.76,;21.99,-22.53,;23.32,-21.76,;23.32,-20.22,;24.65,-22.54,;25.99,-21.77,;25.99,-20.22,;27.32,-19.45,;28.65,-20.22,;30.13,-19.74,;31.04,-20.99,;30.13,-22.24,;30.88,-23.59,;32.41,-23.61,;33.16,-24.97,;32.36,-26.28,;33.1,-27.63,;30.82,-26.25,;30.08,-24.91,;28.66,-21.77,;27.32,-22.54,;30.84,-18.37,;32.38,-18.31,;33.1,-16.95,;32.27,-15.65,;32.98,-14.28,;34.52,-14.21,;35.34,-15.52,;36.88,-15.46,;37.6,-14.1,;39.13,-14.04,;36.77,-12.79,;35.23,-12.85,;30.72,-15.72,;30.02,-17.08,)| Show InChI InChI=1S/C31H46N6O/c1-4-5-6-7-23(2)33-31-32-20-28-29(22-37(30(28)34-31)26-12-14-27(38)15-13-26)25-10-8-24(9-11-25)21-36-18-16-35(3)17-19-36/h8-11,20,22-23,26-27,38H,4-7,12-19,21H2,1-3H3,(H,32,33,34)/t23-,26-,27-/m0/s1 | PDB
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| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
NUAK family SNF1-like kinase 1
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | KEGG
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged full length human NuaK1 (1 to 661 end residues) expressed in baculovirus expression system using fluorecence-labe... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50055496
(CHEMBL3326006)Show SMILES CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)| Show InChI InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24- | PDB
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UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human KIT cytoplasmic domain (544 to 976 end residues) expressed in baculovirus expression system using fluorecen... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50469353
(CHEMBL4283353)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)| Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged human TRKC cytoplasmic domain (456 to 825 end residues) expressed in baculovirus expression system using fluorece... |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50469360
(CHEMBL4289301)Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccnc(c1)N1CCNCC1 |r,wU:13.12,wD:16.16,3.3,(4.25,-14.92,;5.58,-14.16,;6.91,-14.93,;8.25,-14.16,;8.25,-12.62,;9.58,-14.93,;10.91,-14.16,;10.92,-12.61,;12.25,-11.84,;13.58,-12.61,;15.06,-12.13,;15.97,-13.38,;15.06,-14.64,;15.8,-15.98,;17.34,-16,;18.08,-17.36,;17.29,-18.68,;18.03,-20.03,;15.75,-18.64,;15.01,-17.3,;13.58,-14.16,;12.25,-14.93,;15.77,-10.76,;14.94,-9.47,;15.65,-8.11,;17.2,-8.04,;18.02,-9.34,;17.31,-10.71,;19.56,-9.28,;20.38,-10.58,;21.91,-10.52,;22.64,-9.16,;21.81,-7.86,;20.27,-7.91,)| Show InChI InChI=1S/C26H37N7O/c1-3-4-18(2)30-26-29-16-22-23(17-33(25(22)31-26)20-5-7-21(34)8-6-20)19-9-10-28-24(15-19)32-13-11-27-12-14-32/h9-10,15-18,20-21,27,34H,3-8,11-14H2,1-2H3,(H,29,30,31)/t18-,20-,21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
UNC Eshelman School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TYRO3 (unknown origin) using 5'-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by MCE assay |
J Med Chem 61: 10242-10254 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01229
BindingDB Entry DOI: 10.7270/Q2K076ZK |
More data for this
Ligand-Target Pair | |
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