Found 1394 hits Enz. Inhib. hit(s) with all data for entry = 1090 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 |
|---|
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308226
(US9649309, Compound UNC4103A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:33:32:35:29.28.27,33:28:35:32.34.31,25:26:29:32.33.31,THB:34:32:29:35.26.27,34:26:29:32.33.31,(-10,-3.85,;-8.67,-3.08,;-7.33,-3.85,;-6,-3.08,;-4.66,-3.85,;-3.33,-3.08,;-2,-3.85,;-.66,-3.08,;-.66,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.66,.77,;-6,1.54,;-6,3.08,;-7.33,3.85,;-4.66,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;7.92,-.39,;7.9,-2.8,;6.5,-3.44,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;9.1,-3.46,;10,0,;7.34,0,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C31H46N6O/c1-2-3-10-33-30-35-19-27(29(37-30)36-25-5-7-26(38)8-6-25)28-9-4-21(18-34-28)17-32-20-31-14-22-11-23(15-31)13-24(12-22)16-31/h4,9,18-19,22-26,32,38H,2-3,5-8,10-17,20H2,1H3,(H2,33,35,36,37)/t22?,23?,24?,25-,26-,31? | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308226
(US9649309, Compound UNC4103A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:33:32:35:29.28.27,33:28:35:32.34.31,25:26:29:32.33.31,THB:34:32:29:35.26.27,34:26:29:32.33.31,(-10,-3.85,;-8.67,-3.08,;-7.33,-3.85,;-6,-3.08,;-4.66,-3.85,;-3.33,-3.08,;-2,-3.85,;-.66,-3.08,;-.66,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.66,.77,;-6,1.54,;-6,3.08,;-7.33,3.85,;-4.66,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;7.92,-.39,;7.9,-2.8,;6.5,-3.44,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;9.1,-3.46,;10,0,;7.34,0,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C31H46N6O/c1-2-3-10-33-30-35-19-27(29(37-30)36-25-5-7-26(38)8-6-25)28-9-4-21(18-34-28)17-32-20-31-14-22-11-23(15-31)13-24(12-22)16-31/h4,9,18-19,22-26,32,38H,2-3,5-8,10-17,20H2,1H3,(H2,33,35,36,37)/t22?,23?,24?,25-,26-,31? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308193
(US9649309, Compound UNC2571A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccncc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)| Show InChI InChI=1S/C26H35N7O/c1-2-3-12-29-26-31-18-23(25(33-26)32-21-5-7-22(34)8-6-21)24-9-4-20(17-30-24)16-28-15-19-10-13-27-14-11-19/h4,9-11,13-14,17-18,21-22,28,34H,2-3,5-8,12,15-16H2,1H3,(H2,29,31,32,33)/t21?,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308186
(US9649309, Compound UNC2550A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCC2)cn1 |r,wD:14.14,(-9.61,-3.85,;-8.28,-3.08,;-6.94,-3.85,;-5.61,-3.08,;-4.28,-3.85,;-2.94,-3.08,;-1.61,-3.85,;-.28,-3.08,;-.28,-1.54,;-1.61,-.77,;-1.61,.77,;-2.94,1.54,;-4.28,.77,;-5.61,1.54,;-5.61,3.08,;-6.94,3.85,;-4.28,3.85,;-2.94,3.08,;-2.94,-1.54,;1.06,-.77,;2.39,-1.54,;3.72,-.77,;3.72,.77,;5.06,1.54,;6.39,.77,;7.73,1.54,;9.21,1.14,;9.61,2.63,;8.12,3.03,;2.39,1.54,;1.06,.77,)| Show InChI InChI=1S/C24H36N6O/c1-2-3-13-25-24-28-16-21(23(30-24)29-19-8-10-20(31)11-9-19)22-12-7-17(15-27-22)14-26-18-5-4-6-18/h7,12,15-16,18-20,26,31H,2-6,8-11,13-14H2,1H3,(H2,25,28,29,30)/t19?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308189
(US9649309, Compound UNC2547A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC2CC2)cn1 |r,wD:14.14,(-10.08,-3.85,;-8.75,-3.08,;-7.41,-3.85,;-6.08,-3.08,;-4.74,-3.85,;-3.41,-3.08,;-2.08,-3.85,;-.74,-3.08,;-.74,-1.54,;-2.08,-.77,;-2.08,.77,;-3.41,1.54,;-4.74,.77,;-6.08,1.54,;-6.08,3.08,;-7.41,3.85,;-4.74,3.85,;-3.41,3.08,;-3.41,-1.54,;.59,-.77,;1.92,-1.54,;3.26,-.77,;3.26,.77,;4.59,1.54,;5.92,.77,;7.26,1.54,;8.59,.77,;9.68,-.32,;10.08,1.17,;1.92,1.54,;.59,.77,)| Show InChI InChI=1S/C24H36N6O/c1-2-3-12-26-24-28-16-21(23(30-24)29-19-7-9-20(31)10-8-19)22-11-6-18(15-27-22)14-25-13-17-4-5-17/h6,11,15-17,19-20,25,31H,2-5,7-10,12-14H2,1H3,(H2,26,28,29,30)/t19?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308318
(US9649309, Compound UNC3667A)Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCCC1)N1CCOCC1 |(-9.34,-3.88,;-8,-3.11,;-6.67,-3.88,;-5.33,-3.11,;-4,-3.88,;-2.67,-3.11,;-1.33,-3.88,;,-3.11,;,-1.57,;-1.33,-.8,;-1.33,.74,;-2.67,1.51,;-2.67,3.05,;-4,3.82,;-5.33,3.05,;-6.67,3.82,;-5.33,1.51,;-4,.74,;-2.67,-1.57,;1.33,-.8,;2.67,-1.57,;4,-.8,;4,.74,;2.67,1.51,;1.33,.74,;5.33,1.51,;6.58,2.42,;6.1,3.88,;4.56,3.88,;4.09,2.42,;6.67,.74,;6.67,-.8,;8,-1.57,;9.34,-.8,;9.34,.74,;8,1.51,)| Show InChI InChI=1S/C28H42N6O2/c1-2-3-14-29-27-31-20-24(26(33-27)32-22-7-9-23(35)10-8-22)25-11-6-21(19-30-25)28(12-4-5-13-28)34-15-17-36-18-16-34/h6,11,19-20,22-23,35H,2-5,7-10,12-18H2,1H3,(H2,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308188
(US9649309, Compound UNC2489A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCC2)cn1 |r,wD:14.14,(-9.85,-3.85,;-8.52,-3.08,;-7.19,-3.85,;-5.85,-3.08,;-4.52,-3.85,;-3.19,-3.08,;-1.85,-3.85,;-.52,-3.08,;-.52,-1.54,;-1.85,-.77,;-1.85,.77,;-3.19,1.54,;-4.52,.77,;-5.85,1.54,;-5.85,3.08,;-7.19,3.85,;-4.52,3.85,;-3.19,3.08,;-3.19,-1.54,;.82,-.77,;2.15,-1.54,;3.48,-.77,;3.48,.77,;4.82,1.54,;6.15,.77,;7.48,1.54,;8.95,1.06,;9.85,2.31,;8.95,3.56,;7.48,3.08,;2.15,1.54,;.82,.77,)| Show InChI InChI=1S/C25H38N6O/c1-2-3-14-26-25-29-17-22(24(31-25)30-20-9-11-21(32)12-10-20)23-13-8-18(16-28-23)15-27-19-6-4-5-7-19/h8,13,16-17,19-21,27,32H,2-7,9-12,14-15H2,1H3,(H2,26,29,30,31)/t20?,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308349
(US9649309, Compound UNC4160A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;8,3.08,;9.34,2.31,;2.67,1.54,;1.33,.77,)| Show InChI InChI=1S/C24H38N6O/c1-5-6-13-25-23-27-16-20(22(30-23)29-18-8-10-19(31)11-9-18)21-12-7-17(14-26-21)15-28-24(2,3)4/h7,12,14,16,18-19,28,31H,5-6,8-11,13,15H2,1-4H3,(H2,25,27,29,30)/t18-,19- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308201
(US9649309, Compound UNC2606A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)NC1CCN(C)CC1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;1.33,1.54,;,.77,;4,1.54,;4,3.08,;5.33,.77,;6.67,1.54,;8,.77,;9.34,1.54,;9.34,3.08,;10.67,3.85,;8,3.85,;6.67,3.08,)| 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
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308181
(US9649309, Compound UNC2432A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CCCCC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;10,3.08,;8.67,3.85,;7.34,3.08,;2,1.54,;.67,.77,)| 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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308194
(US9649309, Compound UNC2572A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCc2ccccc2)cn1 |r,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;6.67,1.54,;8,.77,;8,-.77,;9.34,-1.54,;10.67,-.77,;10.67,.77,;9.34,1.54,;1.33,1.54,;,.77,)| Show InChI InChI=1S/C27H36N6O/c1-2-3-15-29-27-31-19-24(26(33-27)32-22-10-12-23(34)13-11-22)25-14-9-21(18-30-25)17-28-16-20-7-5-4-6-8-20/h4-9,14,18-19,22-23,28,34H,2-3,10-13,15-17H2,1H3,(H2,29,31,32,33)/t22?,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308192
(US9649309, Compound UNC2546A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCCO)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;2,1.54,;.67,.77,)| 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
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308354
(US9649309, Compound UNC4169A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CCC3)cn1 |r,wU:11.10,wD:14.14,TLB:23:24:26.27:29.31.30,(-8.88,-3.81,;-7.54,-3.04,;-6.21,-3.81,;-4.88,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-.88,-3.81,;.46,-3.04,;.46,-1.5,;-.88,-.73,;-.88,.81,;-2.21,1.58,;-3.54,.81,;-4.88,1.58,;-4.88,3.12,;-6.21,3.89,;-3.54,3.89,;-2.21,3.12,;-2.21,-1.5,;1.79,-.73,;3.13,-1.5,;4.46,-.73,;4.46,.81,;5.79,1.58,;7.13,.81,;6.82,-2.22,;5.39,-2.78,;6.04,-1.39,;7.45,-.78,;8.86,-1.39,;8.88,-3.89,;8.25,-2.78,;3.13,1.58,;1.79,.81,)| Show InChI InChI=1S/C27H40N6O/c1-2-3-15-28-27-30-17-24(26(32-27)31-20-8-12-23(34)13-9-20)25-14-7-19(16-29-25)18-33-21-5-4-6-22(33)11-10-21/h7,14,16-17,20-23,34H,2-6,8-13,15,18H2,1H3,(H2,28,30,31,32)/t20-,21?,22?,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308229
(US9649309, Compound UNC4162A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN(CC)CC)cn1 |r,wU:11.10,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;6.67,-.77,;5.33,-1.54,;2.67,1.54,;1.33,.77,)| Show InChI InChI=1S/C24H38N6O/c1-4-7-14-25-24-27-16-21(23(29-24)28-19-9-11-20(31)12-10-19)22-13-8-18(15-26-22)17-30(5-2)6-3/h8,13,15-16,19-20,31H,4-7,9-12,14,17H2,1-3H3,(H2,25,27,28,29)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308198
(US9649309, Compound UNC2251B)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCN(C)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H39N7O/c1-3-4-11-26-25-28-17-22(24(30-25)29-20-6-8-21(33)9-7-20)23-10-5-19(16-27-23)18-32-14-12-31(2)13-15-32/h5,10,16-17,20-21,33H,3-4,6-9,11-15,18H2,1-2H3,(H2,26,28,29,30)/t20?,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308351
(US9649309, Compound UNC4167A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CC3)cn1 |r,wU:11.10,wD:14.14,THB:23:24:30.29:26.27,(-9.63,-3.85,;-8.29,-3.08,;-6.96,-3.85,;-5.63,-3.08,;-4.29,-3.85,;-2.96,-3.08,;-1.63,-3.85,;-.29,-3.08,;-.29,-1.54,;-1.63,-.77,;-1.63,.77,;-2.96,1.54,;-4.29,.77,;-5.63,1.54,;-5.63,3.08,;-6.96,3.85,;-4.29,3.85,;-2.96,3.08,;-2.96,-1.54,;1.04,-.77,;2.37,-1.54,;3.71,-.77,;3.71,.77,;5.04,1.54,;6.38,.77,;8.87,2.01,;9.63,.92,;8.09,.92,;7.33,2.01,;7.33,3.5,;8.87,3.5,;2.37,1.54,;1.04,.77,)| Show InChI InChI=1S/C26H38N6O/c1-2-3-14-27-26-29-16-23(25(31-26)30-19-5-11-22(33)12-6-19)24-13-4-18(15-28-24)17-32-20-7-8-21(32)10-9-20/h4,13,15-16,19-22,33H,2-3,5-12,14,17H2,1H3,(H2,27,29,30,31)/t19-,20?,21?,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308317
(US9649309, Compound UNC3666A)Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.42,2.63,;5.33,3.72,;4.25,2.63,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)| Show InChI InChI=1S/C27H40N6O2/c1-2-3-13-28-26-30-19-23(25(32-26)31-21-6-8-22(34)9-7-21)24-10-5-20(18-29-24)27(11-4-12-27)33-14-16-35-17-15-33/h5,10,18-19,21-22,34H,2-4,6-9,11-17H2,1H3,(H2,28,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308339
(US9649309, Compound UNC4372A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)[N+]#[C-])ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-5.85,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,.77,;-.52,-.77,;-1.85,-1.54,;-1.85,-3.08,;-3.19,-3.85,;-4.52,-3.08,;-5.85,-3.85,;-7.19,-3.08,;-7.25,-1.46,;-5.85,-.77,;-4.52,-1.54,;-8.57,-.67,;-9.9,.11,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,)| Show InChI InChI=1S/C27H31N7O/c1-28-20-5-7-22(8-6-20)32-27-30-17-24(26(33-27)31-21-9-11-23(35)12-10-21)25-13-4-19(16-29-25)18-34-14-2-3-15-34/h4-8,13,16-17,21,23,35H,2-3,9-12,14-15,18H2,(H2,30,31,32,33)/t21-,23- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308350
(US9649309, Compound UNC4166A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28:31.32.30,32:31:34:28.27.26,32:27:34:31.33.30,THB:33:31:28:34.25.26,33:25:28:31.32.30,(-9.75,-4.66,;-8.41,-3.89,;-7.08,-4.66,;-5.75,-3.89,;-4.41,-4.66,;-3.08,-3.89,;-1.75,-4.66,;-.41,-3.89,;-.41,-2.35,;-1.75,-1.58,;-1.75,-.04,;-3.08,.73,;-4.41,-.04,;-5.75,.73,;-5.75,2.27,;-7.08,3.04,;-4.41,3.04,;-3.08,2.27,;-3.08,-2.35,;.92,-1.58,;2.26,-2.35,;3.59,-1.58,;3.59,-.04,;4.92,.73,;6.26,-.04,;7.65,1.1,;8.42,3.1,;8.42,4.66,;7.09,3.9,;7.09,2.36,;8.42,1.58,;9.75,2.36,;9.75,3.9,;8.85,.43,;6.25,.45,;2.26,.73,;.92,-.04,)| Show InChI InChI=1S/C30H44N6O/c1-2-3-10-31-29-33-19-26(28(36-29)35-24-5-7-25(37)8-6-24)27-9-4-20(17-32-27)18-34-30-14-21-11-22(15-30)13-23(12-21)16-30/h4,9,17,19,21-25,34,37H,2-3,5-8,10-16,18H2,1H3,(H2,31,33,35,36)/t21?,22?,23?,24-,25-,30? | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308318
(US9649309, Compound UNC3667A)Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CCCC1)N1CCOCC1 |(-9.34,-3.88,;-8,-3.11,;-6.67,-3.88,;-5.33,-3.11,;-4,-3.88,;-2.67,-3.11,;-1.33,-3.88,;,-3.11,;,-1.57,;-1.33,-.8,;-1.33,.74,;-2.67,1.51,;-2.67,3.05,;-4,3.82,;-5.33,3.05,;-6.67,3.82,;-5.33,1.51,;-4,.74,;-2.67,-1.57,;1.33,-.8,;2.67,-1.57,;4,-.8,;4,.74,;2.67,1.51,;1.33,.74,;5.33,1.51,;6.58,2.42,;6.1,3.88,;4.56,3.88,;4.09,2.42,;6.67,.74,;6.67,-.8,;8,-1.57,;9.34,-.8,;9.34,.74,;8,1.51,)| Show InChI InChI=1S/C28H42N6O2/c1-2-3-14-29-27-31-20-24(26(33-27)32-22-7-9-23(35)10-8-22)25-11-6-21(19-30-25)28(12-4-5-13-28)34-15-17-36-18-16-34/h6,11,19-20,22-23,35H,2-5,7-10,12-18H2,1H3,(H2,29,31,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308202
(US9649309, Compound UNC3027A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(cn1)C(=O)N1CCN(C)CC1 |r,wU:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-6,1.54,;-4.67,.77,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;.67,.77,;4.67,1.54,;4.67,3.08,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;8.67,.77,;7.34,1.54,)| Show InChI InChI=1S/C25H37N7O2/c1-3-4-11-26-25-28-17-21(23(30-25)29-19-6-8-20(33)9-7-19)22-10-5-18(16-27-22)24(34)32-14-12-31(2)13-15-32/h5,10,16-17,19-20,33H,3-4,6-9,11-15H2,1-2H3,(H2,26,28,29,30)/t19?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308335
(US9649309, Compound UNC4242A)Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)| Show InChI InChI=1S/C27H34N6O/c1-19-4-7-22(8-5-19)31-27-29-17-24(26(32-27)30-21-9-11-23(34)12-10-21)25-13-6-20(16-28-25)18-33-14-2-3-15-33/h4-8,13,16-17,21,23,34H,2-3,9-12,14-15,18H2,1H3,(H2,29,30,31,32)/t21-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308227
(US9649309, Compound UNC4104A)Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(CN2CC[C@H](C2)N(C)C)cn1 |r,wD:27.31,(-10.34,-3.85,;-9.01,-3.08,;-7.67,-3.85,;-6.34,-3.08,;-5.01,-3.85,;-3.67,-3.08,;-2.34,-3.85,;-1.01,-3.08,;-1.01,-1.54,;-2.34,-.77,;-2.34,.77,;-3.67,1.54,;-3.67,3.08,;-5.01,3.85,;-6.34,3.08,;-7.67,3.85,;-6.34,1.54,;-5.01,.77,;-3.67,-1.54,;.33,-.77,;1.66,-1.54,;2.99,-.77,;2.99,.77,;4.33,1.54,;5.66,.77,;5.66,-.77,;7.13,-1.25,;8.03,,;7.13,1.25,;9.57,,;10.34,1.33,;10.34,-1.33,;1.66,1.54,;.33,.77,)| Show InChI InChI=1S/C26H41N7O/c1-4-5-13-27-26-29-16-23(25(31-26)30-20-7-9-22(34)10-8-20)24-11-6-19(15-28-24)17-33-14-12-21(18-33)32(2)3/h6,11,15-16,20-22,34H,4-5,7-10,12-14,17-18H2,1-3H3,(H2,27,29,30,31)/t20?,21-,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308334
(US9649309, Compound UNC4241A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C26H31FN6O/c27-19-4-6-21(7-5-19)31-26-29-16-23(25(32-26)30-20-8-10-22(34)11-9-20)24-12-3-18(15-28-24)17-33-13-1-2-14-33/h3-7,12,15-16,20,22,34H,1-2,8-11,13-14,17H2,(H2,29,30,31,32)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308366
(US9649309, Compound UNC4340A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(C=C2CCN(CC2)C(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.67,-3.85,;-9.34,-3.08,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-8,3.85,;-5.33,3.85,;-4,3.08,;-4,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;5.33,.77,;5.33,-.77,;6.67,-1.54,;8,-.77,;8,.77,;6.67,1.54,;9.34,-1.54,;10.67,-.77,;9.34,-3.08,;1.33,1.54,;,.77,)| Show InChI InChI=1S/C28H42N6O/c1-4-5-14-29-28-31-19-25(27(33-28)32-23-7-9-24(35)10-8-23)26-11-6-22(18-30-26)17-21-12-15-34(16-13-21)20(2)3/h6,11,17-20,23-24,35H,4-5,7-10,12-16H2,1-3H3,(H2,29,31,32,33)/t23-,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308182
(US9649309, Compound UNC2422A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCC(F)(F)CC2)cn1 |r,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;6,-.77,;7.34,-1.54,;8.67,-.77,;10,-1.54,;10,,;8.67,.77,;7.34,1.54,;2,1.54,;.67,.77,)| 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
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308275
(US9649309, Compound UNC3118A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccnc(N)n1 |r,wU:11.10,wD:14.14,(-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-1.33,3.85,;,3.08,;,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;5.33,3.08,;4,.77,)| Show InChI InChI=1S/C18H27N7O/c1-2-3-9-21-18-22-11-14(15-8-10-20-17(19)24-15)16(25-18)23-12-4-6-13(26)7-5-12/h8,10-13,26H,2-7,9H2,1H3,(H2,19,20,24)(H2,21,22,23,25)/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308352
(US9649309, Compound UNC4168A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2C(C)(C)C2(C)C)cn1 |r,wU:11.10,wD:14.14,(-10.11,-4.13,;-8.77,-3.36,;-7.44,-4.13,;-6.1,-3.36,;-4.77,-4.13,;-3.44,-3.36,;-2.1,-4.13,;-.77,-3.36,;-.77,-1.82,;-2.1,-1.05,;-2.1,.49,;-3.44,1.26,;-4.77,.49,;-6.1,1.26,;-6.1,2.8,;-7.44,3.57,;-4.77,3.57,;-3.44,2.8,;-3.44,-1.82,;.56,-1.05,;1.9,-1.82,;3.23,-1.05,;3.23,.49,;4.56,1.26,;5.9,.49,;7.23,1.26,;8,2.59,;8,4.13,;9.34,3.36,;8.77,1.26,;10.11,.49,;10.11,2.03,;1.9,1.26,;.56,.49,)| Show InChI InChI=1S/C27H42N6O/c1-6-7-14-28-25-31-17-21(23(33-25)32-19-9-11-20(34)12-10-19)22-13-8-18(15-29-22)16-30-24-26(2,3)27(24,4)5/h8,13,15,17,19-20,24,30,34H,6-7,9-12,14,16H2,1-5H3,(H2,28,31,32,33)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308267
(US9649309, Compound UNC3072A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cc(N)ncn1 |r,wU:11.10,wD:14.14,(-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;.67,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-2,3.85,;-.67,3.08,;-.67,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;6,.77,;4.67,1.54,;3.33,.77,)| Show InChI InChI=1S/C18H27N7O/c1-2-3-8-20-18-21-10-14(15-9-16(19)23-11-22-15)17(25-18)24-12-4-6-13(26)7-5-12/h9-13,26H,2-8H2,1H3,(H2,19,22,23)(H2,20,21,24,25)/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308315
(US9649309, Compound UNC3664A)Show SMILES CCCCNc1ncc(c(NC2CCC(O)CC2)n1)-c1ccc(cn1)C1(CC1)N1CCOCC1 |(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,;-5.33,1.54,;-4,.77,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;6.1,2.87,;4.56,2.87,;6.67,.77,;6.67,-.77,;8,-1.54,;9.34,-.77,;9.34,.77,;8,1.54,)| Show InChI InChI=1S/C26H38N6O2/c1-2-3-12-27-25-29-18-22(24(31-25)30-20-5-7-21(33)8-6-20)23-9-4-19(17-28-23)26(10-11-26)32-13-15-34-16-14-32/h4,9,17-18,20-21,33H,2-3,5-8,10-16H2,1H3,(H2,27,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308191
(US9649309, Compound UNC2549A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNCC)cn1 |r,wD:14.14,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;2.67,1.54,;1.33,.77,)| Show InChI InChI=1S/C22H34N6O/c1-3-5-12-24-22-26-15-19(20-11-6-16(14-25-20)13-23-4-2)21(28-22)27-17-7-9-18(29)10-8-17/h6,11,14-15,17-18,23,29H,3-5,7-10,12-13H2,1-2H3,(H2,24,26,27,28)/t17?,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308230
(US9649309, Compound UNC4163A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,THB:24:25:28.29:32,(-10.49,-3.56,;-9.15,-2.79,;-7.82,-3.56,;-6.49,-2.79,;-5.15,-3.56,;-3.82,-2.79,;-2.48,-3.56,;-1.15,-2.79,;-1.15,-1.25,;-2.48,-.48,;-2.48,1.06,;-3.82,1.83,;-5.15,1.06,;-6.49,1.83,;-6.49,3.37,;-7.82,4.14,;-5.15,4.14,;-3.82,3.37,;-3.82,-1.25,;.18,-.48,;1.52,-1.25,;2.85,-.48,;2.85,1.06,;4.18,1.83,;5.52,1.06,;6.85,1.83,;7.66,.62,;9.18,.33,;10.49,1.14,;10.09,-.34,;8.81,-1.2,;7.31,-.85,;9.72,-2.66,;10.12,-4.14,;1.52,1.83,;.18,1.06,)| Show InChI InChI=1S/C28H43N7O/c1-3-4-13-29-28-32-18-25(27(34-28)33-20-6-10-24(36)11-7-20)26-12-5-19(17-31-26)16-30-21-14-22-8-9-23(15-21)35(22)2/h5,12,17-18,20-24,30,36H,3-4,6-11,13-16H2,1-2H3,(H2,29,32,33,34)/t20-,21?,22?,23?,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Growth arrest-specific protein 6
(Homo sapiens (Human)) | BDBM308335
(US9649309, Compound UNC4242A)Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)| Show InChI InChI=1S/C27H34N6O/c1-19-4-7-22(8-5-19)31-27-29-17-24(26(32-27)30-21-9-11-23(34)12-10-21)25-13-6-20(16-28-25)18-33-14-2-3-15-33/h4-8,13,16-17,21,23,34H,2-3,9-12,14-15,18H2,1H3,(H2,29,30,31,32)/t21-,23- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Growth arrest-specific protein 6
(Homo sapiens (Human)) | BDBM308226
(US9649309, Compound UNC4103A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cn1 |r,wU:11.10,wD:14.14,TLB:33:32:35:29.28.27,33:28:35:32.34.31,25:26:29:32.33.31,THB:34:32:29:35.26.27,34:26:29:32.33.31,(-10,-3.85,;-8.67,-3.08,;-7.33,-3.85,;-6,-3.08,;-4.66,-3.85,;-3.33,-3.08,;-2,-3.85,;-.66,-3.08,;-.66,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.66,.77,;-6,1.54,;-6,3.08,;-7.33,3.85,;-4.66,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.34,-.77,;3.34,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;7.92,-.39,;7.9,-2.8,;6.5,-3.44,;7.34,-1.54,;8.67,-2.31,;10,-1.54,;9.1,-3.46,;10,0,;7.34,0,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C31H46N6O/c1-2-3-10-33-30-35-19-27(29(37-30)36-25-5-7-26(38)8-6-25)28-9-4-21(18-34-28)17-32-20-31-14-22-11-23(15-31)13-24(12-22)16-31/h4,9,18-19,22-26,32,38H,2-3,5-8,10-17,20H2,1H3,(H2,33,35,36,37)/t22?,23?,24?,25-,26-,31? | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308294
(US9649309, Compound UNC3192A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)| Show InChI InChI=1S/C21H33N7O/c1-4-5-10-22-21-23-12-17(18-11-19(25-13-24-18)26-14(2)3)20(28-21)27-15-6-8-16(29)9-7-15/h11-16,29H,4-10H2,1-3H3,(H,24,25,26)(H2,22,23,27,28)/t15?,16- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308341
(US9649309, Compound UNC4377A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Br)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C26H31BrN6O/c27-19-4-6-21(7-5-19)31-26-29-16-23(25(32-26)30-20-8-10-22(34)11-9-20)24-12-3-18(15-28-24)17-33-13-1-2-14-33/h3-7,12,15-16,20,22,34H,1-2,8-11,13-14,17H2,(H2,29,30,31,32)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308294
(US9649309, Compound UNC3192A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1cc(NC(C)C)ncn1 |r,wD:14.14,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;4.67,.77,;3.33,1.54,;2,.77,)| Show InChI InChI=1S/C21H33N7O/c1-4-5-10-22-21-23-12-17(18-11-19(25-13-24-18)26-14(2)3)20(28-21)27-15-6-8-16(29)9-7-15/h11-16,29H,4-10H2,1-3H3,(H,24,25,26)(H2,22,23,27,28)/t15?,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308187
(US9649309, Compound UNC2491A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC2)cn1 |r,wD:14.14,(-9.44,-3.85,;-8.11,-3.08,;-6.77,-3.85,;-5.44,-3.08,;-4.1,-3.85,;-2.77,-3.08,;-1.44,-3.85,;-.1,-3.08,;-.1,-1.54,;-1.44,-.77,;-1.44,.77,;-2.77,1.54,;-4.1,.77,;-5.44,1.54,;-5.44,3.08,;-6.77,3.85,;-4.1,3.85,;-2.77,3.08,;-2.77,-1.54,;1.23,-.77,;2.56,-1.54,;3.9,-.77,;3.9,.77,;5.23,1.54,;6.57,.77,;7.9,1.54,;9.44,1.54,;8.67,2.87,;2.56,1.54,;1.23,.77,)| 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
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308334
(US9649309, Compound UNC4241A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C26H31FN6O/c27-19-4-6-21(7-5-19)31-26-29-16-23(25(32-26)30-20-8-10-22(34)11-9-20)24-12-3-18(15-28-24)17-33-13-1-2-14-33/h3-7,12,15-16,20,22,34H,1-2,8-11,13-14,17H2,(H2,29,30,31,32)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Growth arrest-specific protein 6
(Homo sapiens (Human)) | BDBM308338
(US9649309, Compound UNC4247A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cccc(F)c2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-5.19,-1.54,;-6.52,-.77,;-7.85,-1.54,;-7.85,-3.08,;-9.19,-3.85,;-6.52,-3.85,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C26H31FN6O/c27-19-4-3-5-21(14-19)31-26-29-16-23(25(32-26)30-20-7-9-22(34)10-8-20)24-11-6-18(15-28-24)17-33-12-1-2-13-33/h3-6,11,14-16,20,22,34H,1-2,7-10,12-13,17H2,(H2,29,30,31,32)/t20-,22- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308197
(US9649309, Compound UNC2252A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1cccc(CN2CCCCC2)n1 |r,wU:11.10,wD:14.14,(-8.67,-5,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;.67,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,2.69,;-3.33,2.69,;-2,1.93,;-2,-2.69,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;6,5,;4.67,4.23,;2,-.38,)| Show InChI InChI=1S/C25H38N6O/c1-2-3-14-26-25-27-17-22(24(30-25)29-19-10-12-21(32)13-11-19)23-9-7-8-20(28-23)18-31-15-5-4-6-16-31/h7-9,17,19,21,32H,2-6,10-16,18H2,1H3,(H2,26,27,29,30)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308339
(US9649309, Compound UNC4372A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)[N+]#[C-])ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-5.85,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,.77,;-.52,-.77,;-1.85,-1.54,;-1.85,-3.08,;-3.19,-3.85,;-4.52,-3.08,;-5.85,-3.85,;-7.19,-3.08,;-7.25,-1.46,;-5.85,-.77,;-4.52,-1.54,;-8.57,-.67,;-9.9,.11,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,)| Show InChI InChI=1S/C27H31N7O/c1-28-20-5-7-22(8-6-20)32-27-30-17-24(26(33-27)31-21-9-11-23(35)12-10-21)25-13-4-19(16-29-25)18-34-14-2-3-15-34/h4-8,13,16-17,21,23,35H,2-3,9-12,14-15,18H2,(H2,30,31,32,33)/t21-,23- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308368
(US9649309, Compound UNC4356A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCN(C)CC1 |r,wU:11.10,wD:14.14,t:28,(-9.34,-3.85,;-8,-3.08,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-5.33,3.08,;-6.67,3.85,;-4,3.85,;-2.67,3.08,;-2.67,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.33,.77,;5.33,1.54,;5.33,3.08,;6.67,3.85,;8,3.08,;9.34,3.85,;8,1.54,;6.67,.77,)| Show InChI InChI=1S/C25H36N6O/c1-3-4-13-26-25-28-17-22(24(30-25)29-20-6-8-21(32)9-7-20)23-10-5-19(16-27-23)18-11-14-31(2)15-12-18/h5,10-11,16-17,20-21,32H,3-4,6-9,12-15H2,1-2H3,(H2,26,28,29,30)/t20-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308367
(US9649309, Compound UNC4354A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(cn1)C1=CCNCC1 |r,wU:11.10,wD:14.14,t:28,(-8.67,-3.85,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-2,-3.08,;-.67,-3.85,;.67,-3.08,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;-4.67,1.54,;-4.67,3.08,;-6,3.85,;-3.33,3.85,;-2,3.08,;-2,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;2,.77,;6,1.54,;6,3.08,;7.34,3.85,;8.67,3.08,;8.67,1.54,;7.34,.77,)| Show InChI InChI=1S/C24H34N6O/c1-2-3-12-26-24-28-16-21(23(30-24)29-19-5-7-20(31)8-6-19)22-9-4-18(15-27-22)17-10-13-25-14-11-17/h4,9-10,15-16,19-20,25,31H,2-3,5-8,11-14H2,1H3,(H2,26,28,29,30)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308340
(US9649309, Compound UNC4373A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C26H31ClN6O/c27-19-4-6-21(7-5-19)31-26-29-16-23(25(32-26)30-20-8-10-22(34)11-9-20)24-12-3-18(15-28-24)17-33-13-1-2-14-33/h3-7,12,15-16,20,22,34H,1-2,8-11,13-14,17H2,(H2,29,30,31,32)/t20-,22- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308185
(US9649309, Compound UNC2490A)Show SMILES CCCCNc1ncc(c(NC2CC[C@H](O)CC2)n1)-c1ccc(CN2CCCC2)cn1 |r,wD:14.14,(-9.19,-3.85,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C24H36N6O/c1-2-3-12-25-24-27-16-21(23(29-24)28-19-7-9-20(31)10-8-19)22-11-6-18(15-26-22)17-30-13-4-5-14-30/h6,11,15-16,19-20,31H,2-5,7-10,12-14,17H2,1H3,(H2,25,27,28,29)/t19?,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM308332
(US9649309, Compound UNC3208A)Show SMILES O[C@H]1CCC(CC1)Nc1nc(Nc2ccncc2)ncc1-c1ccccn1 |r,wD:1.0,(-4.67,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-.67,-3.08,;-2,-3.85,;-3.33,-3.08,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-6,-3.08,;-4.67,-3.85,;.67,-3.85,;2,-3.08,;2,-1.54,;3.33,-.77,;4.67,-1.54,;6,-.77,;6,.77,;4.67,1.54,;3.33,.77,)| Show InChI InChI=1S/C20H22N6O/c27-16-6-4-14(5-7-16)24-19-17(18-3-1-2-10-22-18)13-23-20(26-19)25-15-8-11-21-12-9-15/h1-3,8-14,16,27H,4-7H2,(H2,21,23,24,25,26)/t14?,16- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308231
(US9649309, Compound UNC4165A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNC2CC3CCC(C2)N3C)cn1 |r,wU:11.10,wD:14.14,TLB:24:25:28.29:32,(-9.43,-2.5,;-8.1,-1.73,;-6.77,-2.5,;-5.43,-1.73,;-4.1,-2.5,;-2.77,-1.73,;-1.43,-2.5,;-.1,-1.73,;-.1,-.19,;-1.43,.58,;-1.43,2.12,;-2.77,2.89,;-4.1,2.12,;-5.43,2.89,;-5.43,4.43,;-6.77,5.2,;-4.1,5.2,;-2.77,4.43,;-2.77,-.19,;1.23,.58,;2.57,-.19,;3.9,.58,;3.9,2.12,;5.24,2.89,;6.57,2.12,;5.8,.78,;6.61,-.43,;8.13,-.72,;9.43,.09,;9.04,-1.4,;7.76,-2.25,;6.26,-1.91,;8.67,-3.71,;9.07,-5.2,;2.57,2.89,;1.23,2.12,)| Show InChI InChI=1S/C28H43N7O/c1-3-4-13-29-28-32-18-25(27(34-28)33-20-6-10-24(36)11-7-20)26-12-5-19(17-31-26)16-30-21-14-22-8-9-23(15-21)35(22)2/h5,12,17-18,20-24,30,36H,3-4,6-11,13-16H2,1-2H3,(H2,29,32,33,34)/t20-,21?,22?,23?,24- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Growth arrest-specific protein 6
(Homo sapiens (Human)) | BDBM308334
(US9649309, Compound UNC4241A)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-6.52,3.85,;-5.19,3.08,;-5.19,1.54,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-3.85,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-9.19,-.77,;-6.52,-.77,;-5.19,-1.54,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,)| Show InChI InChI=1S/C26H31FN6O/c27-19-4-6-21(7-5-19)31-26-29-16-23(25(32-26)30-20-8-10-22(34)11-9-20)24-12-3-18(15-28-24)17-33-13-1-2-14-33/h3-7,12,15-16,20,22,34H,1-2,8-11,13-14,17H2,(H2,29,30,31,32)/t20-,22- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM308228
(US9649309, Compound UNC4161A)Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CNCC(C)(C)C)cn1 |r,wU:11.10,wD:14.14,(-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-6,3.08,;-7.34,3.85,;-4.67,3.85,;-3.33,3.08,;-3.33,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;7.34,1.54,;8.67,.77,;10,1.54,;8.67,-.77,;8.67,2.31,;2,1.54,;.67,.77,)| Show InChI InChI=1S/C25H40N6O/c1-5-6-13-27-24-29-16-21(23(31-24)30-19-8-10-20(32)11-9-19)22-12-7-18(15-28-22)14-26-17-25(2,3)4/h7,12,15-16,19-20,26,32H,5-6,8-11,13-14,17H2,1-4H3,(H2,27,29,30,31)/t19-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of North Carolina at Chapel Hill
US Patent
| Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ... |
US Patent US9649309 (2017)
BindingDB Entry DOI: 10.7270/Q26Q209H |
More data for this
Ligand-Target Pair | |
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