Found 4 hits of ic50 for UniProtKB: P30085 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
UMP-CMP kinase
(Homo Sapiens (Human)) | BDBM364417
(US9862688, Compound 4)Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCCNC(=O)CC3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wU:25.36,29.35,31.31,27.28,THB:30:29:26:24.31.32,28:29:24:27.26.32,(-8.67,-1.15,;-7.34,-.38,;-6,-1.15,;-4.67,-.38,;-4.67,1.15,;-3.33,1.93,;-2,1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;2,-1.15,;2,-2.69,;3.33,-3.47,;4.67,-2.69,;6,-3.47,;7.34,-2.7,;8.67,-3.47,;10,-2.7,;11.34,-3.47,;12.67,-2.7,;12.67,-1.16,;14,-3.47,;15.34,-2.7,;16.67,-3.47,;18,-4.23,;19.34,-3.47,;19.34,-1.93,;18,-1.16,;16.67,-.39,;15.34,-1.16,;17.56,-1.83,;18,-2.7,;4.67,-1.15,;3.33,-.38,;-6,1.93,;-7.34,1.15,;-8.67,1.93,;-10,1.15,;-11.34,1.93,;-11.34,3.47,;-12.67,4.23,;-14,3.47,;-14,1.93,;-15.34,1.15,;-16.67,1.93,;-16.67,3.47,;-18,1.15,;-19.34,1.93,;-12.67,1.15,)| Show InChI InChI=1S/C40H51ClN8O2/c1-2-37(50)45-33-7-5-6-27(23-33)25-43-39-36(41)26-44-40(47-39)46-32-8-10-34(11-9-32)49-16-14-48(15-17-49)13-4-3-12-42-38(51)24-35-30-19-28-18-29(21-30)22-31(35)20-28/h2,5-11,23,26,28-31,35H,1,3-4,12-22,24-25H2,(H,42,51)(H,45,50)(H2,43,44,46,47)/t28-,29?,30-,31?,35?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn
| Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay... |
J Med Chem 48: 7688-707 (2005)
BindingDB Entry DOI: 10.7270/Q2K076KN |
More data for this
Ligand-Target Pair | |
UMP-CMP kinase
(Homo Sapiens (Human)) | BDBM364403
(US9862688, Compound 2)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCCNC(=O)CC2[C@H]3C[C@@H]4C[C@H](C[C@@H]2C4)C3)CC1 |r,wD:41.54,45.53,47.49,43.46,THB:46:45:40.47.48:42,44:45:40:48.43.42,(2.67,-1.92,;2.67,-.38,;1.33,.39,;,-.38,;-1.33,.39,;-1.33,1.93,;,2.7,;1.33,1.93,;2.67,2.7,;4,1.93,;4,.39,;5.33,-.38,;6.67,.39,;8,-.38,;6.67,1.93,;8,2.7,;9.34,1.93,;10.67,2.7,;10.67,4.24,;12,5.01,;13.34,4.24,;13.34,2.7,;14.67,1.93,;16,2.7,;16,4.24,;17.34,1.93,;18.67,2.7,;12,1.93,;5.33,2.7,;-2.67,-.38,;-2.67,-1.92,;-4,-2.69,;-5.33,-1.92,;-6.67,-2.69,;-8,-1.92,;-9.34,-2.69,;-10.67,-1.92,;-12,-2.69,;-12,-4.23,;-13.34,-1.92,;-14.67,-2.69,;-14.67,-4.23,;-16.4,-3.74,;-18.67,-1.92,;-18.67,-3.46,;-17.34,-4.23,;-17.34,-2.69,;-16,-1.92,;-17.34,-1.15,;-16,-5.01,;-5.33,-.38,;-4,.39,)| Show InChI InChI=1S/C40H51ClN8O3/c1-3-37(50)45-31-7-4-6-26(21-31)24-43-39-34(41)25-44-40(47-39)46-35-9-8-32(22-36(35)52-2)49-14-12-48(13-15-49)11-5-10-42-38(51)23-33-29-17-27-16-28(19-29)20-30(33)18-27/h3-4,6-9,21-22,25,27-30,33H,1,5,10-20,23-24H2,2H3,(H,42,51)(H,45,50)(H2,43,44,46,47)/t27-,28-,29-,30?,33?/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.73E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn
| Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay... |
J Med Chem 48: 7688-707 (2005)
BindingDB Entry DOI: 10.7270/Q2K076KN |
More data for this
Ligand-Target Pair | |
UMP-CMP kinase
(Homo Sapiens (Human)) | BDBM364410
(US9862688, Compound 3)Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCN(CCCNC(=O)CC3[C@H]4C[C@@H]5C[C@H](C[C@@H]3C5)C4)CC2)nc1NCc1cccc(NC(=O)C=C)c1 |r,wD:30.32,26.33,24.25,28.28,THB:25:26:23.24.32:29,27:26:23:32.28.29,(-8,-.38,;-6.67,.39,;-5.33,-.38,;-4,.39,;-4,1.93,;-2.67,2.7,;-1.33,1.93,;-1.33,.39,;,-.38,;1.33,.39,;1.33,1.93,;,2.7,;2.67,-.38,;2.67,-1.92,;4,-2.69,;5.33,-1.92,;6.67,-2.69,;8,-1.92,;9.34,-2.69,;10.67,-1.92,;12,-2.69,;12,-4.23,;13.34,-1.92,;14.67,-2.69,;16,-1.92,;17.34,-2.69,;17.34,-4.23,;18.67,-3.46,;18.67,-1.92,;16.4,-3.74,;14.67,-4.23,;16,-5.01,;17.34,-1.15,;5.33,-.38,;4,.39,;-5.33,2.7,;-6.67,1.93,;-8,2.7,;-9.34,1.93,;-10.67,2.7,;-10.67,4.24,;-12,5.01,;-13.34,4.24,;-13.34,2.7,;-14.67,1.93,;-16,2.7,;-16,4.24,;-17.34,1.93,;-18.67,2.7,;-12,1.93,)| Show InChI InChI=1S/C39H49ClN8O2/c1-2-36(49)44-32-6-3-5-26(22-32)24-42-38-35(40)25-43-39(46-38)45-31-7-9-33(10-8-31)48-15-13-47(14-16-48)12-4-11-41-37(50)23-34-29-18-27-17-28(20-29)21-30(34)19-27/h2-3,5-10,22,25,27-30,34H,1,4,11-21,23-24H2,(H,41,50)(H,44,49)(H2,42,43,45,46)/t27-,28-,29-,30?,34?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn
| Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay... |
J Med Chem 48: 7688-707 (2005)
BindingDB Entry DOI: 10.7270/Q2K076KN |
More data for this
Ligand-Target Pair | |
UMP-CMP kinase
(Homo Sapiens (Human)) | BDBM364373
(US9862688, Compound 1)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)C=C)c2)n1)N1CCN(CCNC(=O)CC2[C@H]3CC4C[C@@H](C[C@@H]2C4)C3)CC1 |r,wU:46.50,40.43,44.46,THB:41:42:45:39.40.48,43:42:39:44.45.48,(-2,-2.7,;-2,-1.16,;-.67,-.39,;.67,-1.16,;2,-.39,;2,1.15,;.67,1.92,;-.67,1.15,;-2,1.92,;-3.33,1.15,;-3.33,-.39,;-4.67,-1.16,;-6,-.39,;-7.34,-1.15,;-6,1.15,;-7.34,1.92,;-8.67,1.15,;-10,1.92,;-10,3.46,;-11.34,4.23,;-12.67,3.46,;-12.67,1.92,;-14,1.15,;-15.34,1.92,;-15.34,3.46,;-16.67,1.15,;-18,1.92,;-11.34,1.15,;-4.67,1.93,;3.33,-1.16,;3.33,-2.7,;4.67,-3.47,;6,-2.7,;7.34,-3.47,;8.67,-2.7,;10,-3.47,;11.34,-2.7,;11.34,-1.16,;12.67,-3.47,;14,-2.7,;14,-1.16,;15.34,-.39,;16.67,-1.16,;18,-1.93,;18,-3.47,;16.67,-4.23,;15.34,-3.46,;16.67,-2.7,;16.23,-1.83,;6,-1.16,;4.67,-.39,)| Show InChI InChI=1S/C39H49ClN8O3/c1-3-36(49)44-30-6-4-5-25(20-30)23-42-38-33(40)24-43-39(46-38)45-34-8-7-31(21-35(34)51-2)48-13-11-47(12-14-48)10-9-41-37(50)22-32-28-16-26-15-27(18-28)19-29(32)17-26/h3-8,20-21,24,26-29,32H,1,9-19,22-23H2,2H3,(H,41,50)(H,44,49)(H2,42,43,45,46)/t26-,27?,28-,29?,32?/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 7.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn
| Assay Description
The in vitro activity of the compounds described herein in inhibiting JAK3 and other kinases were obtained using an INVITROGEN Select Screening assay... |
J Med Chem 48: 7688-707 (2005)
BindingDB Entry DOI: 10.7270/Q2K076KN |
More data for this
Ligand-Target Pair | |
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