Found 1047 hits with Last Name = 'norris-drouin' and Initial = 'j' 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 Mer
(Homo sapiens (Human)) | BDBM50384584
(CHEMBL2036807 | US9744172, Compound UNC607A)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)| Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384583
(CHEMBL2036806)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)| Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384582
(CHEMBL2036805)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)| Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384585
(CHEMBL2036809)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(-.82,-49.25,;.22,-48.11,;1.72,-48.43,;2.76,-47.29,;2.28,-45.83,;3.31,-44.69,;2.84,-43.22,;3.75,-41.97,;2.84,-40.71,;3.31,-39.25,;4.82,-38.93,;5.3,-37.47,;4.27,-36.32,;4.74,-34.86,;2.75,-36.65,;2.28,-38.11,;1.36,-41.19,;.03,-40.43,;-1.3,-41.2,;-1.3,-42.74,;-2.64,-43.51,;-3.97,-42.74,;-3.97,-41.2,;-5.3,-40.43,;-5.3,-38.89,;-3.96,-38.13,;-3.96,-36.59,;-5.29,-35.82,;-6.63,-36.59,;-6.63,-38.13,;.03,-43.51,;1.36,-42.74,;.78,-45.5,;-.25,-46.64,)| Show InChI InChI=1S/C27H31FN6/c28-22-12-10-21(11-13-22)25-24-17-31-27(30-16-4-7-19-5-2-1-3-6-19)32-26(24)34(33-25)18-20-8-14-23(29)15-9-20/h1-3,5-6,10-13,17,20,23H,4,7-9,14-16,18,29H2,(H,30,31,32)/t20-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384581
(CHEMBL2036804)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)| Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
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 | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384576
(CHEMBL2036808)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1 |r,wU:13.12,wD:16.16,(54.06,-16.98,;54.06,-18.52,;55.39,-19.29,;55.39,-20.83,;56.72,-21.6,;58.06,-20.83,;58.06,-19.29,;59.39,-18.52,;60.72,-19.28,;62.2,-18.8,;63.11,-20.06,;62.2,-21.31,;62.67,-22.78,;61.64,-23.92,;62.12,-25.38,;61.08,-26.52,;59.58,-26.2,;58.54,-27.34,;59.11,-24.73,;60.14,-23.59,;60.72,-20.83,;59.39,-21.6,;62.67,-17.34,;64.18,-17.02,;64.66,-15.56,;63.63,-14.41,;64.1,-12.95,;62.11,-14.74,;61.64,-16.2,)| Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer using EFPIYDFLPAKKK-CONH2 as substrate by Michaelis-Menton equation |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
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MCE
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UniChem
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| 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 | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384584
(CHEMBL2036807 | US9744172, Compound UNC607A)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)| Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr... |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384583
(CHEMBL2036806)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)| Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr... |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
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
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CHEMBL
MCE
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UniChem
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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
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CHEMBL
MCE
PC cid
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| 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
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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 | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444070
(CHEMBL3092795)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wU:11.10,wD:14.14,(-.85,-56.03,;.49,-55.27,;1.83,-56.04,;3.16,-55.27,;4.49,-56.04,;5.83,-55.27,;7.16,-56.04,;8.5,-55.27,;8.49,-53.72,;7.16,-52.95,;7.15,-51.42,;5.82,-50.65,;4.49,-51.42,;3.16,-50.65,;3.15,-49.1,;1.82,-48.33,;4.49,-48.34,;5.82,-49.1,;5.83,-53.73,;9.83,-52.94,;11.16,-53.71,;12.49,-52.94,;12.48,-51.4,;13.81,-50.62,;15.15,-51.39,;16.48,-50.61,;17.81,-51.38,;19.14,-50.61,;19.14,-49.07,;17.8,-48.3,;16.46,-49.08,;11.14,-50.63,;9.81,-51.41,)| Show InChI InChI=1S/C26H40N6O/c1-2-3-15-27-26-30-18-23(25(32-26)31-21-10-12-22(33)13-11-21)24-14-9-19(17-29-24)16-28-20-7-5-4-6-8-20/h9,14,17-18,20-22,28,33H,2-8,10-13,15-16H2,1H3,(H2,27,30,31,32)/t21-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
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PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444072
(CHEMBL3092793)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wU:11.10,wD:14.14,(42.31,-47.3,;43.64,-46.53,;44.98,-47.3,;46.31,-46.53,;47.64,-47.3,;48.98,-46.53,;50.31,-47.3,;51.65,-46.53,;51.65,-44.98,;50.31,-44.22,;50.31,-42.68,;48.97,-41.91,;47.64,-42.68,;46.31,-41.91,;46.31,-40.36,;44.97,-39.59,;47.64,-39.6,;48.97,-40.36,;48.98,-44.99,;52.98,-44.2,;54.31,-44.98,;55.64,-44.2,;55.63,-42.66,;54.29,-41.9,;52.96,-42.67,;56.96,-41.88,;56.95,-40.34,;58.3,-42.65,;59.63,-41.87,;60.96,-42.64,;62.29,-41.87,;62.29,-40.33,;63.62,-39.56,;60.95,-39.56,;59.61,-40.34,)| Show InChI InChI=1S/C26H39N7O2/c1-3-4-13-27-26-29-17-22(24(32-26)30-19-6-8-21(34)9-7-19)23-10-5-18(16-28-23)25(35)31-20-11-14-33(2)15-12-20/h5,10,16-17,19-21,34H,3-4,6-9,11-15H2,1-2H3,(H,31,35)(H2,27,29,30,32)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444073
(CHEMBL3092792)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)S(=O)(=O)N1CCOCC1 |r,wU:11.10,wD:14.14,(17.06,-43.23,;18.4,-42.47,;19.73,-43.24,;21.06,-42.47,;22.4,-43.24,;23.73,-42.47,;25.07,-43.24,;26.4,-42.47,;26.4,-40.92,;25.06,-40.15,;25.06,-38.61,;23.72,-37.85,;22.4,-38.62,;21.06,-37.85,;21.06,-36.3,;19.73,-35.53,;22.39,-35.54,;23.72,-36.3,;23.73,-40.93,;27.73,-40.14,;29.06,-40.91,;30.39,-40.14,;30.39,-38.6,;29.04,-37.83,;27.72,-38.61,;31.72,-37.82,;32.48,-36.48,;30.94,-36.49,;33.05,-38.59,;33.05,-40.13,;34.38,-40.89,;35.71,-40.12,;35.71,-38.58,;34.37,-37.81,)| Show InChI InChI=1S/C23H34N6O4S/c1-2-3-10-24-23-26-16-20(22(28-23)27-17-4-6-18(30)7-5-17)21-9-8-19(15-25-21)34(31,32)29-11-13-33-14-12-29/h8-9,15-18,30H,2-7,10-14H2,1H3,(H2,24,26,27,28)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384582
(CHEMBL2036805)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(nc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(11.21,-28.56,;12.24,-27.41,;13.75,-27.74,;14.79,-26.59,;14.31,-25.14,;15.34,-24,;14.86,-22.53,;15.77,-21.28,;14.86,-20.02,;15.34,-18.56,;14.31,-17.42,;14.78,-15.96,;16.29,-15.63,;17.32,-16.78,;16.84,-18.24,;16.76,-14.17,;18.27,-13.85,;18.74,-12.39,;17.71,-11.25,;16.21,-11.56,;15.72,-13.03,;13.39,-20.5,;12.05,-19.74,;10.72,-20.51,;10.72,-22.05,;9.39,-22.82,;8.05,-22.05,;8.05,-20.51,;6.72,-19.74,;6.72,-18.2,;8.06,-17.44,;8.06,-15.9,;6.73,-15.13,;5.39,-15.9,;5.4,-17.44,;12.05,-22.82,;13.39,-22.05,;12.8,-24.81,;11.77,-25.95,)| Show InChI InChI=1S/C30H39N9/c31-25-11-8-23(9-12-25)21-39-29-26(20-35-30(36-29)33-14-4-7-22-5-2-1-3-6-22)28(37-39)24-10-13-27(34-19-24)38-17-15-32-16-18-38/h1-3,5-6,10,13,19-20,23,25,32H,4,7-9,11-12,14-18,21,31H2,(H,33,35,36)/t23-,25- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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Similars
| Article
PubMed
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr... |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50201078
(CHEMBL3964573)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1 |r| Show InChI InChI=1S/C32H48N8O/c1-38-18-20-39(21-19-38)23-25-11-13-26(14-12-25)28-24-40-17-9-6-10-29(33)31(41)34-15-7-4-2-3-5-8-16-35-32-36-22-27(28)30(40)37-32/h11-14,22,24,29H,2-10,15-21,23,33H2,1H3,(H,34,41)(H,35,36,37)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay |
ACS Med Chem Lett 7: 1044-1049 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444068
(CHEMBL3092797)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wU:11.10,wD:14.14,(43.3,-58.78,;44.63,-58.01,;45.97,-58.78,;47.3,-58.01,;48.63,-58.78,;49.97,-58.01,;51.3,-58.78,;52.64,-58.01,;52.63,-56.46,;51.3,-55.7,;51.29,-54.16,;49.96,-53.39,;48.63,-54.16,;47.29,-53.39,;47.29,-51.84,;45.96,-51.07,;48.63,-51.08,;49.96,-51.84,;49.97,-56.47,;53.96,-55.68,;55.3,-56.46,;56.63,-55.68,;56.62,-54.14,;57.95,-53.36,;59.29,-54.13,;60.62,-53.35,;61.96,-54.11,;63.28,-53.34,;55.27,-53.38,;53.95,-54.15,)| Show InChI InChI=1S/C22H34N6O2/c1-2-3-10-24-22-26-15-19(20-9-4-16(14-25-20)13-23-11-12-29)21(28-22)27-17-5-7-18(30)8-6-17/h4,9,14-15,17-18,23,29-30H,2-3,5-8,10-13H2,1H3,(H2,24,26,27,28)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
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 | |
Melanoma-associated antigen 4
(Homo sapiens) | BDBM50605667
(CHEMBL5187815)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)[C@@H](C)O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00185
BindingDB Entry DOI: 10.7270/Q2V128WF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444075
(CHEMBL3092790)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wU:11.10,wD:14.14,(52.92,-33.3,;54.26,-32.53,;55.59,-33.3,;56.93,-32.54,;58.26,-33.31,;59.59,-32.54,;60.93,-33.31,;62.26,-32.54,;62.26,-30.99,;60.92,-30.22,;60.92,-28.68,;59.58,-27.92,;58.26,-28.69,;56.92,-27.91,;56.92,-26.37,;55.59,-25.6,;58.26,-25.6,;59.58,-26.37,;59.6,-30.99,;63.59,-30.21,;64.92,-30.98,;66.25,-30.21,;66.25,-28.67,;67.58,-27.89,;68.91,-28.65,;68.91,-30.19,;70.24,-30.96,;71.58,-30.19,;72.35,-31.52,;73.12,-30.18,;71.57,-28.64,;70.23,-27.87,;64.9,-27.9,;63.58,-28.68,)| Show InChI InChI=1S/C25H36F2N6O/c1-2-3-12-28-24-30-16-21(23(32-24)31-19-5-7-20(34)8-6-19)22-9-4-18(15-29-22)17-33-13-10-25(26,27)11-14-33/h4,9,15-16,19-20,34H,2-3,5-8,10-14,17H2,1H3,(H2,28,30,31,32)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
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)) | BDBM50444069
(CHEMBL3092796)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wU:11.10,wD:14.14,(20.96,-58.36,;22.3,-57.6,;23.63,-58.37,;24.96,-57.6,;26.3,-58.37,;27.63,-57.6,;28.96,-58.37,;30.3,-57.6,;30.3,-56.05,;28.96,-55.28,;28.96,-53.74,;27.62,-52.98,;26.29,-53.75,;24.96,-52.98,;24.96,-51.43,;23.62,-50.66,;26.29,-50.67,;27.62,-51.43,;27.63,-56.06,;31.63,-55.27,;32.96,-56.04,;34.29,-55.27,;34.28,-53.73,;35.61,-52.95,;36.95,-53.72,;38.28,-52.94,;39.81,-52.93,;39.04,-51.6,;32.94,-52.96,;31.61,-53.74,)| Show InChI InChI=1S/C23H34N6O/c1-2-3-12-24-23-27-15-20(22(29-23)28-18-7-9-19(30)10-8-18)21-11-4-16(14-26-21)13-25-17-5-6-17/h4,11,14-15,17-19,25,30H,2-3,5-10,12-13H2,1H3,(H2,24,27,28,29)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
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 | |
Melanoma-associated antigen 4
(Homo sapiens) | BDBM50605668
(CHEMBL5199001)Show SMILES [H][C@]1(NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)C(C)C)[C@H](C)O)[C@@H](C)O)[C@@H](C)O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00185
BindingDB Entry DOI: 10.7270/Q2V128WF |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor UFO
(Homo sapiens (Human)) | BDBM50384584
(CHEMBL2036807 | US9744172, Compound UNC607A)Show SMILES N[C@H]1CC[C@H](Cn2nc(-c3ccc(cc3)N3CCNCC3)c3cnc(NCCCc4ccccc4)nc23)CC1 |r,wU:4.4,wD:1.0,(41.81,-28.1,;42.85,-26.96,;44.35,-27.28,;45.39,-26.14,;44.91,-24.68,;45.94,-23.54,;45.47,-22.07,;46.38,-20.82,;45.47,-19.56,;45.94,-18.1,;47.45,-17.78,;47.93,-16.32,;46.9,-15.17,;45.38,-15.5,;44.91,-16.96,;47.36,-13.71,;48.87,-13.39,;49.35,-11.94,;48.32,-10.79,;46.81,-11.11,;46.33,-12.57,;43.99,-20.04,;42.66,-19.28,;41.33,-20.05,;41.33,-21.6,;39.99,-22.36,;38.66,-21.59,;38.66,-20.05,;37.33,-19.28,;37.33,-17.74,;38.67,-16.98,;38.67,-15.44,;37.34,-14.67,;36,-15.45,;36,-16.98,;42.66,-22.37,;43.99,-21.6,;43.41,-24.35,;42.38,-25.49,)| Show InChI InChI=1S/C31H40N8/c32-26-12-8-24(9-13-26)22-39-30-28(21-35-31(36-30)34-16-4-7-23-5-2-1-3-6-23)29(37-39)25-10-14-27(15-11-25)38-19-17-33-18-20-38/h1-3,5-6,10-11,14-15,21,24,26,33H,4,7-9,12-13,16-20,22,32H2,(H,34,35,36)/t24-,26- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Axl using KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
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 | |
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
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| 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 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
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| 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 | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444042
(CHEMBL3092807)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r,wU:11.10,wD:14.14,(58.28,-22.87,;59.62,-22.1,;60.95,-22.87,;62.28,-22.11,;63.62,-22.88,;64.95,-22.11,;66.29,-22.88,;67.62,-22.11,;67.62,-20.56,;66.28,-19.79,;66.28,-18.25,;64.94,-17.49,;63.62,-18.26,;62.28,-17.48,;62.28,-15.94,;60.94,-15.17,;63.61,-15.17,;64.94,-15.94,;64.95,-20.56,;68.95,-19.78,;70.28,-20.55,;71.61,-19.78,;71.6,-18.24,;72.93,-17.46,;74.27,-18.22,;74.27,-19.76,;75.6,-20.53,;76.93,-19.76,;76.93,-18.21,;75.59,-17.44,;70.26,-17.47,;68.93,-18.25,)| Show InChI InChI=1S/C24H36N6O2/c1-2-3-10-25-24-27-16-21(23(29-24)28-19-5-7-20(31)8-6-19)22-9-4-18(15-26-22)17-30-11-13-32-14-12-30/h4,9,15-16,19-20,31H,2-3,5-8,10-14,17H2,1H3,(H2,25,27,28,29)/t19-,20- | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444074
(CHEMBL3092791)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(C)C)cn1 |r,wU:11.10,wD:14.14,(-4.06,-43.37,;-2.72,-42.6,;-1.39,-43.37,;-.05,-42.6,;1.29,-43.37,;2.62,-42.6,;3.96,-43.37,;5.29,-42.6,;5.29,-41.05,;3.95,-40.29,;3.95,-38.75,;2.61,-37.98,;1.29,-38.75,;-.06,-37.98,;-.06,-36.44,;-1.39,-35.67,;1.29,-35.67,;2.61,-36.44,;2.63,-41.06,;6.62,-40.28,;7.95,-41.05,;9.28,-40.27,;9.27,-38.73,;10.6,-37.96,;11.94,-38.72,;13.26,-37.94,;11.95,-40.26,;7.93,-37.97,;6.6,-38.75,)| Show InChI InChI=1S/C22H34N6O/c1-4-5-12-23-22-25-14-19(20-11-6-16(13-24-20)15-28(2)3)21(27-22)26-17-7-9-18(29)10-8-17/h6,11,13-14,17-18,29H,4-5,7-10,12,15H2,1-3H3,(H2,23,25,26,27)/t17-,18- | PDB
MMDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444066
(CHEMBL3092799)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](N)CC2)n1)-c1ccccn1 |r,wU:11.10,wD:14.14,(15.98,-7.45,;17.32,-6.68,;18.65,-7.45,;19.98,-6.68,;21.32,-7.45,;22.65,-6.69,;23.98,-7.46,;25.32,-6.68,;25.32,-5.13,;23.98,-4.37,;23.98,-2.83,;22.64,-2.06,;21.31,-2.84,;19.98,-2.06,;19.98,-.52,;18.64,.26,;21.31,.25,;22.64,-.52,;22.65,-5.14,;26.65,-4.36,;27.98,-5.13,;29.31,-4.36,;29.3,-2.81,;27.96,-2.05,;26.64,-2.82,)| Show InChI InChI=1S/C19H28N6/c1-2-3-11-22-19-23-13-16(17-6-4-5-12-21-17)18(25-19)24-15-9-7-14(20)8-10-15/h4-6,12-15H,2-3,7-11,20H2,1H3,(H2,22,23,24,25)/t14-,15- | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50201039
(CHEMBL3910520)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCCNc4ncc2c3n4)CC1 Show InChI InChI=1S/C29H42N6O/c1-33-16-18-34(19-17-33)21-23-10-12-24(13-11-23)27-22-35-15-7-9-25(36)8-5-3-2-4-6-14-30-29-31-20-26(27)28(35)32-29/h10-13,20,22,25,36H,2-9,14-19,21H2,1H3,(H,30,31,32) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay |
ACS Med Chem Lett 7: 1044-1049 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50384581
(CHEMBL2036804)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(nc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(-8.83,-18.78,;-8.83,-20.32,;-7.5,-21.09,;-7.5,-22.63,;-6.17,-23.41,;-4.83,-22.64,;-4.83,-21.09,;-3.5,-20.32,;-2.17,-21.08,;-.69,-20.61,;.22,-21.86,;-.69,-23.12,;-.22,-24.58,;-1.25,-25.72,;-.77,-27.18,;-1.81,-28.32,;-3.31,-28,;-4.35,-29.14,;-3.78,-26.53,;-2.76,-25.39,;-2.17,-22.64,;-3.5,-23.41,;-.22,-19.14,;-1.25,-18.01,;-.78,-16.54,;.73,-16.22,;1.77,-17.36,;1.29,-18.82,;1.2,-14.75,;2.71,-14.44,;3.19,-12.98,;2.16,-11.83,;.65,-12.15,;.17,-13.62,)| Show InChI InChI=1S/C25H37N9/c1-2-3-10-28-25-30-16-21-23(19-6-9-22(29-15-19)33-13-11-27-12-14-33)32-34(24(21)31-25)17-18-4-7-20(26)8-5-18/h6,9,15-16,18,20,27H,2-5,7-8,10-14,17,26H2,1H3,(H,28,30,31)/t18-,20- | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Mer expressed in Escherichia coli BL21 (DE3) cells using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electr... |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
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
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| 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)) | BDBM50444240
(CHEMBL3093635)Show SMILES CCCCNc1ncc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:29.30,wD:32.34,(.04,-21.39,;1.37,-20.63,;2.71,-21.4,;4.04,-20.63,;5.37,-21.4,;6.71,-20.63,;8.04,-21.4,;9.38,-20.63,;9.37,-19.08,;10.7,-18.3,;10.7,-16.76,;12.04,-19.07,;13.37,-18.29,;14.71,-19.07,;16.03,-18.29,;16.03,-16.75,;14.68,-15.99,;13.36,-16.76,;17.36,-15.97,;16.58,-14.63,;18.13,-14.62,;18.7,-16.74,;18.69,-18.27,;20.02,-19.03,;21.36,-18.26,;21.35,-16.72,;20.01,-15.95,;8.04,-18.32,;8.03,-16.78,;6.7,-16.01,;5.36,-16.79,;4.03,-16.01,;4.03,-14.47,;2.69,-13.7,;5.36,-13.71,;6.69,-14.47,;6.71,-19.09,)| Show InChI InChI=1S/C25H37N7O4S/c1-2-3-12-27-25-28-17-22(23(31-25)29-19-6-4-18(26)5-7-19)24(33)30-20-8-10-21(11-9-20)37(34,35)32-13-15-36-16-14-32/h8-11,17-19H,2-7,12-16,26H2,1H3,(H,30,33)(H2,27,28,29,31)/t18-,19- | PDB
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| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9693-700 (2014)
Article DOI: 10.1021/jm4013888
BindingDB Entry DOI: 10.7270/Q21G0NQ1 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50201153
(CHEMBL3892515)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCNc4ncc2c3n4)CC1 |r| Show InChI InChI=1S/C30H44N8O/c1-36-16-18-37(19-17-36)21-23-9-11-24(12-10-23)26-22-38-15-7-4-8-27(31)29(39)32-13-5-2-3-6-14-33-30-34-20-25(26)28(38)35-30/h9-12,20,22,27H,2-8,13-19,21,31H2,1H3,(H,32,39)(H,33,34,35)/t27-/m0/s1 | PDB
MMDB
Reactome pathway
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| CHEMBL
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay |
ACS Med Chem Lett 7: 1044-1049 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K |
More data for this
Ligand-Target Pair | |
Melanoma-associated antigen 4
(Homo sapiens) | BDBM50605666
(CHEMBL5188210)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)[C@@H](C)CC |r| | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00185
BindingDB Entry DOI: 10.7270/Q2V128WF |
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 | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50201078
(CHEMBL3964573)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1 |r| Show InChI InChI=1S/C32H48N8O/c1-38-18-20-39(21-19-38)23-25-11-13-26(14-12-25)28-24-40-17-9-6-10-29(33)31(41)34-15-7-4-2-3-5-8-16-35-32-36-22-27(28)30(40)37-32/h11-14,22,24,29H,2-10,15-21,23,33H2,1H3,(H,34,41)(H,35,36,37)/t29-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Flt3 (unknown origin) by microfluidic capillary electrophoresis assay |
ACS Med Chem Lett 7: 1044-1049 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K |
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)) | BDBM50201077
(CHEMBL3967759)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1 Show InChI InChI=1S/C31H46N6O/c1-35-18-20-36(21-19-35)23-25-12-14-26(15-13-25)29-24-37-17-9-7-11-27(38)10-6-4-2-3-5-8-16-32-31-33-22-28(29)30(37)34-31/h12-15,22,24,27,38H,2-11,16-21,23H2,1H3,(H,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay |
ACS Med Chem Lett 7: 1044-1049 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50444080
(CHEMBL3092805)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)N1CCN(C)CC1 |r,wU:11.10,wD:14.14,(13.34,-23.32,;14.67,-22.55,;16,-23.32,;17.34,-22.56,;18.67,-23.33,;20.01,-22.56,;21.34,-23.33,;22.68,-22.56,;22.67,-21.01,;21.34,-20.24,;21.33,-18.7,;20,-17.94,;18.67,-18.71,;17.33,-17.93,;17.33,-16.39,;16,-15.62,;18.67,-15.62,;20,-16.39,;20.01,-21.01,;24,-20.23,;25.33,-21,;26.66,-20.23,;26.66,-18.69,;25.31,-17.92,;23.99,-18.7,;27.99,-17.91,;29.31,-18.68,;30.64,-17.91,;30.64,-16.37,;31.97,-15.6,;29.3,-15.6,;27.97,-16.37,)| Show InChI InChI=1S/C24H37N7O/c1-3-4-11-25-24-27-17-21(23(29-24)28-18-5-8-20(32)9-6-18)22-10-7-19(16-26-22)31-14-12-30(2)13-15-31/h7,10,16-18,20,32H,3-6,8-9,11-15H2,1-2H3,(H2,25,27,28,29)/t18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description
Inhibition of Mer kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay |
J Med Chem 56: 9683-92 (2014)
Article DOI: 10.1021/jm401387j
BindingDB Entry DOI: 10.7270/Q29W0GX8 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50384583
(CHEMBL2036806)Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)N1CCNCC1 |r,wU:13.12,wD:16.16,(19.9,-18.03,;19.9,-19.57,;21.23,-20.34,;21.23,-21.88,;22.56,-22.65,;23.9,-21.88,;23.9,-20.34,;25.23,-19.57,;26.56,-20.33,;28.04,-19.85,;28.95,-21.11,;28.04,-22.36,;28.51,-23.83,;27.48,-24.97,;27.96,-26.43,;26.92,-27.57,;25.42,-27.25,;24.38,-28.39,;24.95,-25.78,;25.98,-24.64,;26.56,-21.88,;25.23,-22.65,;28.51,-18.39,;30.02,-18.07,;30.5,-16.61,;29.47,-15.46,;27.95,-15.79,;27.48,-17.25,;29.93,-14,;31.44,-13.68,;31.92,-12.22,;30.89,-11.08,;29.38,-11.39,;28.9,-12.86,)| Show InChI InChI=1S/C26H38N8/c1-2-3-12-29-26-30-17-23-24(20-6-10-22(11-7-20)33-15-13-28-14-16-33)32-34(25(23)31-26)18-19-4-8-21(27)9-5-19/h6-7,10-11,17,19,21,28H,2-5,8-9,12-16,18,27H2,1H3,(H,29,30,31)/t19-,21- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Tyro3 using EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluid capillary electrophoresis assay |
ACS Med Chem Lett 3: 129-134 (2012)
Article DOI: 10.1021/ml200239k
BindingDB Entry DOI: 10.7270/Q2F76DMC |
More data for this
Ligand-Target Pair | |
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