Found 14 hits of Enzyme Inhibition Constant Data 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 |
|---|
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM103307
(US8546434, 4)Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r| Show InChI InChI=1S/C28H34F3N5O2/c1-17(37)27(38)35(16-19-13-32-14-23(19)31)24(28(2,3)4)26-33-25(21-12-20(29)10-11-22(21)30)34-36(26)15-18-8-6-5-7-9-18/h5-12,17,19,23-24,32,37H,13-16H2,1-4H3/t17-,19-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34539
(US8546434, 13)Show SMILES COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C13H17N3O3S2/c1-13(2,3)11-14-15-12(20-11)16-21(17,18)10-7-5-9(19-4)6-8-10/h5-8H,1-4H3,(H,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM103306
(US8546434, 3)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F)C(C)(C)C |r| Show InChI InChI=1S/C32H40F4N6O2/c1-19-15-40(16-20(2)44-19)31(43)41(18-22-13-37-14-27(22)36)28(32(3,4)5)30-38-29(25-12-24(34)9-10-26(25)35)39-42(30)17-21-7-6-8-23(33)11-21/h6-12,19-20,22,27-28,37H,13-18H2,1-5H3/t19-,20+,22-,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM103309
(US8546434, 6)Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F)C(C)(C)C |r| Show InChI InChI=1S/C28H33F4N5O2/c1-16(38)27(39)36(15-18-12-33-13-23(18)32)24(28(2,3)4)26-34-25(21-11-20(30)8-9-22(21)31)35-37(26)14-17-6-5-7-19(29)10-17/h5-11,16,18,23-24,33,38H,12-15H2,1-4H3/t16-,18-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM103305
(US8546434, 2)Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C |r| Show InChI InChI=1S/C32H41F3N6O2/c1-20-16-39(17-21(2)43-20)31(42)40(19-23-14-36-15-27(23)35)28(32(3,4)5)30-37-29(25-13-24(33)11-12-26(25)34)38-41(30)18-22-9-7-6-8-10-22/h6-13,20-21,23,27-28,36H,14-19H2,1-5H3/t20-,21+,23-,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34538
(US8546434, 12)Show SMILES COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H](C)O)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C22H19ClN4O3S/c23-14-4-3-5-15(12-14)27-21(29)20-19(16-6-1-2-7-17(16)24-20)25-22(27)31-13-18(28)26-8-10-30-11-9-26/h1-7,12,24H,8-11,13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.870 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34536
(US8546434, 10)Show SMILES COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C15H23N5O4S/c1-18-12-11(13(21)17-14(18)22)20(5-7-23-2)15(16-12)25-10-6-19-3-8-24-9-4-19/h3-10H2,1-2H3,(H,17,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM103304
(US8546434, 1)Show SMILES CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C30H36F3N5O2/c1-30(2,3)26(37(18-20-15-34-16-24(20)33)29(39)25-10-7-13-40-25)28-35-27(22-14-21(31)11-12-23(22)32)36-38(28)17-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,20,24-26,34H,7,10,13,15-18H2,1-3H3/t20-,24-,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34532
(US8546434, 7)Show SMILES COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C15H16N4O2S2/c1-8(2)23-13-10-12(18(3)15(21)19(4)14(10)20)16-11(17-13)9-6-5-7-22-9/h5-8H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.23 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34537
(US8546434, 11)Show SMILES COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C21H27N5O2S/c1-15-6-8-16(9-7-15)14-26-17-18(24(2)20(28)23-19(17)27)22-21(26)29-13-12-25-10-4-3-5-11-25/h6-9H,3-5,10-14H2,1-2H3,(H,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM103308
(US8546434, 5)Show SMILES CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C30H35F4N5O2/c1-30(2,3)26(38(17-19-14-35-15-24(19)34)29(40)25-8-5-11-41-25)28-36-27(22-13-21(32)9-10-23(22)33)37-39(28)16-18-6-4-7-20(31)12-18/h4,6-7,9-10,12-13,19,24-26,35H,5,8,11,14-17H2,1-3H3/t19-,24-,25?,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.46 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34534
(US8546434, 8)Show SMILES COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@H](C)O)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C16H16N4OS/c1-4-7-22-16-18-14-13(15(21)19-16)9-17-20(14)12-6-5-10(2)11(3)8-12/h4-6,8-9,17H,1,7H2,2-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.49 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34540
(US8546434, 14)Show SMILES COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@H](C)O)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r| Show InChI InChI=1S/C18H22N2O/c1-5-14-9-6-8-13(2)17(14)19-18(21)15-10-7-11-16(12-15)20(3)4/h6-12H,5H2,1-4H3,(H,19,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM34535
(US8546434, 9)Show SMILES CCN1C[C@H](F)[C@H](CN([C@@H](c2nc(nn2Cc2cccc(F)c2)-c2cc(F)ccc2F)C(C)(C)OC)C(=O)[C@@H]2CCCO2)C1 |r| Show InChI InChI=1S/C23H17N3O4S/c1-12-16(22(29)30-2)18(13-8-4-3-5-9-13)26-21(28)19(31-23(26)24-12)17-14-10-6-7-11-15(14)25-20(17)27/h3-11,18H,1-2H3,(H,25,27)/b19-17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 49.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis AG
US Patent
| Assay Description
In vitro activity assay using KSP. |
US Patent US8546434 (2013)
BindingDB Entry DOI: 10.7270/Q25D8QG9 |
More data for this
Ligand-Target Pair | |
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