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Compile Data Set for Download or QSAR

Found 18 hits of affinity data for UniProtKB/TrEMBL: Q8NI77   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561740
PNG
(CHEMBL4755023)
Show SMILES OCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C24H29F3N4O5S/c25-24(26,27)10-15-36-21-3-1-2-20(29-21)30-22(33)18-5-4-17(37(34,35)28-11-14-32)16-19(18)31-12-8-23(6-7-23)9-13-31/h1-5,16,28,32H,6-15H2,(H,29,30,33)
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n/an/a 12n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2079-2080 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561745
PNG
(CHEMBL4784192)
Show SMILES Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC3)CC2)nc1N1CCOCC1
Show InChI InChI=1S/C26H35N5O5S/c1-19-2-5-23(27-24(19)31-12-15-36-16-13-31)28-25(33)21-4-3-20(29-37(34,35)17-14-32)18-22(21)30-10-8-26(6-7-26)9-11-30/h2-5,18,29,32H,6-17H2,1H3,(H,27,28,33)
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n/an/a 12n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2079-2080 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50557719
PNG
(CHEMBL4776977)
Show SMILES OCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(c2)N2CCC(F)(F)CC2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C27H34F2N4O4S/c28-27(29)10-14-32(15-11-27)22-3-1-2-20(18-22)30-25(35)23-5-4-21(31-38(36,37)17-16-34)19-24(23)33-12-8-26(6-7-26)9-13-33/h1-5,18-19,31,34H,6-17H2,(H,30,35)
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n/an/a 12n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 12: 690-691 (2021)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561742
PNG
(CHEMBL4777623)
Show SMILES Cc1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC3)CC2)nc(c1)N1CC(F)(F)C1
Show InChI InChI=1S/C24H29F2N5O3S/c1-16-11-20(27-21(12-16)31-14-24(25,26)15-31)28-22(32)18-4-3-17(29-35(2,33)34)13-19(18)30-9-7-23(5-6-23)8-10-30/h3-4,11-13,29H,5-10,14-15H2,1-2H3,(H,27,28,32)
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n/an/a 14n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2079-2080 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561744
PNG
(CHEMBL4752657)
Show SMILES C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C25H31F3N4O5S/c1-17(16-33)38(35,36)31-18-5-6-19(20(15-18)32-12-9-24(7-8-24)10-13-32)23(34)30-21-3-2-4-22(29-21)37-14-11-25(26,27)28/h2-6,15,17,31,33H,7-14,16H2,1H3,(H,29,30,34)/t17-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2079-2080 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561743
PNG
(CHEMBL4746340)
Show SMILES C[C@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(OCCC(F)(F)F)n2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C25H31F3N4O5S/c1-17(16-33)38(35,36)31-18-5-6-19(20(15-18)32-12-9-24(7-8-24)10-13-32)23(34)30-21-3-2-4-22(29-21)37-14-11-25(26,27)28/h2-6,15,17,31,33H,7-14,16H2,1H3,(H,29,30,34)/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2079-2080 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561741
PNG
(CHEMBL4777759)
Show SMILES C[C@@H]1CN(CCO1)c1cccc(NC(=O)c2ccc(cc2N2CCC3(CC3)CC2)S(=O)(=O)NCCO)n1
Show InChI InChI=1S/C26H35N5O5S/c1-19-18-31(14-16-36-19)24-4-2-3-23(28-24)29-25(33)21-6-5-20(37(34,35)27-11-15-32)17-22(21)30-12-9-26(7-8-26)10-13-30/h2-6,17,19,27,32H,7-16,18H2,1H3,(H,28,29,33)/t19-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2079-2080 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561924
PNG
(CHEMBL4750775)
Show SMILES OCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccnc(c2)N2CCC(F)(F)CC2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C26H33F2N5O4S/c27-26(28)8-13-33(14-9-26)23-18-19(3-10-29-23)30-24(35)21-2-1-20(31-38(36,37)16-15-34)17-22(21)32-11-6-25(4-5-25)7-12-32/h1-3,10,17-18,31,34H,4-9,11-16H2,(H,29,30,35)
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n/an/a 17n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2368-2369 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561928
PNG
(CHEMBL4779888)
Show SMILES Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC3)CC2)nc(n1)C1CCC(F)(F)CC1
Show InChI InChI=1S/C27H35F2N5O4S/c1-18-16-23(31-24(30-18)19-4-6-27(28,29)7-5-19)32-25(36)21-3-2-20(33-39(37,38)15-14-35)17-22(21)34-12-10-26(8-9-26)11-13-34/h2-3,16-17,19,33,35H,4-15H2,1H3,(H,30,31,32,36)
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n/an/a 17n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2368-2369 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561923
PNG
(CHEMBL4751673)
Show SMILES C[C@@H](CO)S(=O)(=O)Nc1ccc(C(=O)Nc2ccnc(n2)N2CCO[C@H](C)C2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C26H36N6O5S/c1-18-16-32(13-14-37-18)25-27-10-5-23(29-25)28-24(34)21-4-3-20(30-38(35,36)19(2)17-33)15-22(21)31-11-8-26(6-7-26)9-12-31/h3-5,10,15,18-19,30,33H,6-9,11-14,16-17H2,1-2H3,(H,27,28,29,34)/t18-,19+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2368-2369 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561927
PNG
(CHEMBL4740783)
Show SMILES Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC3)CC2)nc(NC(C)(C)CO)n1
Show InChI InChI=1S/C25H36N6O5S/c1-17-14-21(28-23(26-17)29-24(2,3)16-33)27-22(34)19-5-4-18(30-37(35,36)13-12-32)15-20(19)31-10-8-25(6-7-25)9-11-31/h4-5,14-15,30,32-33H,6-13,16H2,1-3H3,(H2,26,27,28,29,34)
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n/an/a 18n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2368-2369 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561926
PNG
(CHEMBL4776120)
Show SMILES Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC3)CC2)nc(n1)N1CCC2(CC2)C1
Show InChI InChI=1S/C27H36N6O4S/c1-19-16-23(30-25(28-19)33-13-10-27(18-33)6-7-27)29-24(35)21-3-2-20(31-38(36,37)15-14-34)17-22(21)32-11-8-26(4-5-26)9-12-32/h2-3,16-17,31,34H,4-15,18H2,1H3,(H,28,29,30,35)
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n/an/a 18n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2368-2369 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50561925
PNG
(CHEMBL4743241)
Show SMILES Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC3)CC2)nc(OC2CCC2)n1
Show InChI InChI=1S/C25H33N5O5S/c1-17-15-22(28-24(26-17)35-19-3-2-4-19)27-23(32)20-6-5-18(29-36(33,34)14-13-31)16-21(20)30-11-9-25(7-8-25)10-12-30/h5-6,15-16,19,29,31H,2-4,7-14H2,1H3,(H,26,27,28,32)
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n/an/a 18n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 11: 2368-2369 (2020)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50557718
PNG
(CHEMBL4757053)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C27H38N4O5S2/c1-19(2)37(33,34)29-21-9-10-23(24(18-21)31-15-13-27(11-12-27)14-16-31)25(32)28-20-7-6-8-22(17-20)38(35,36)30-26(3,4)5/h6-10,17-19,29-30H,11-16H2,1-5H3,(H,28,32)
PDB
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n/an/a 26n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 12: 690-691 (2021)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50557722
PNG
(CHEMBL4759372)
Show SMILES OCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(c2)N2CCCCC2)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C27H36N4O4S/c32-17-18-36(34,35)29-22-7-8-24(25(20-22)31-15-11-27(9-10-27)12-16-31)28-26(33)21-5-4-6-23(19-21)30-13-2-1-3-14-30/h4-8,19-20,29,32H,1-3,9-18H2,(H,28,33)
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n/an/a 26n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 12: 690-691 (2021)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50557717
PNG
(CHEMBL4743666)
Show SMILES CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2N2CCC3(CC3)CC2)c1
Show InChI InChI=1S/C25H34N4O5S2/c1-24(2,3)28-36(33,34)20-7-5-6-18(16-20)26-23(30)21-9-8-19(27-35(4,31)32)17-22(21)29-14-12-25(10-11-25)13-15-29/h5-9,16-17,27-28H,10-15H2,1-4H3,(H,26,30)
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n/an/a 27n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 12: 690-691 (2021)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50557721
PNG
(CHEMBL4786845)
Show SMILES CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C25H34N4O5S2/c1-24(2,3)28-36(33,34)19-7-5-6-18(16-19)27-23(30)21-9-8-20(35(31,32)26-4)17-22(21)29-14-12-25(10-11-25)13-15-29/h5-9,16-17,26,28H,10-15H2,1-4H3,(H,27,30)
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n/an/a 29n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 12: 690-691 (2021)

More data for this
Ligand-Target Pair
Kinesin-like protein KIF18A


(Homo sapiens)
BDBM50557720
PNG
(CHEMBL4765048)
Show SMILES OCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(N3CCC(F)(F)CC3)c2F)c(c1)N1CCC2(CC2)CC1
Show InChI InChI=1S/C27H33F3N4O4S/c28-24-21(2-1-3-22(24)33-14-10-27(29,30)11-15-33)31-25(36)20-5-4-19(32-39(37,38)17-16-35)18-23(20)34-12-8-26(6-7-26)9-13-34/h1-5,18,32,35H,6-17H2,(H,31,36)
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n/an/a 29n/an/an/an/an/an/a



Smith, Gambrell & Russell LLP

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KIF18A (1 to 467 residues) expressed in baculovirus expression system assessed as inhibition of microtubul...


ACS Med Chem Lett 12: 690-691 (2021)

More data for this
Ligand-Target Pair