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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'annan' and Initial = 'rs'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
kinesin spindle protein


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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1.70n/an/an/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (A356T)


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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66n/an/an/an/an/an/a6.8n/a



GlaxoSmithKline





Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (A356T)


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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109n/an/an/an/an/an/a6.8n/a



GlaxoSmithKline





Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.180n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.200n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.230n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.300n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.310n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.350n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 0.450n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 0.460n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.590n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 0.720n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 0.830n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 1n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 3.30n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 6.90n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 8.70n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 22n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 36n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 36n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254432
PNG
(1-(2-methyl-5-(morpholinosulfonyl)furan-3-yl)-3-ph...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254434
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254343
PNG
((S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-...)
Show SMILES C[C@H](NC(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 87.3n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254436
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254290
PNG
(1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254290
PNG
(1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254432
PNG
(1-(2-methyl-5-(morpholinosulfonyl)furan-3-yl)-3-ph...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254339
PNG
(1-(4-methoxyphenyl)-3-(2-methyl-5-(piperidin-1-yls...)
Show SMILES COc1ccc(NC(=O)Nc2cc(oc2C)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254340
PNG
(1-(4-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254339
PNG
(1-(4-methoxyphenyl)-3-(2-methyl-5-(piperidin-1-yls...)
Show SMILES COc1ccc(NC(=O)Nc2cc(oc2C)S(=O)(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254341
PNG
(1-(2-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)
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n/an/a 130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254393
PNG
(1-benzhydryl-3-(2-methyl-5-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1oc(cc1NC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28)
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 162n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254340
PNG
(1-(4-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254434
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)
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n/an/a 250n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254436
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254341
PNG
(1-(2-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1Cl)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254435
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22)
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n/an/a 400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254343
PNG
((S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-...)
Show SMILES C[C@H](NC(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254433
PNG
(1-(2-methyl-5-(4-methylpiperazin-1-ylsulfonyl)fura...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C17H22N4O4S/c1-13-15(19-17(22)18-14-6-4-3-5-7-14)12-16(25-13)26(23,24)21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22)
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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 675n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 903n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254435
PNG
(5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...)
Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O4S/c1-13-16(20-18(22)19-14-8-4-2-5-9-14)12-17(25-13)26(23,24)21-15-10-6-3-7-11-15/h2-12,21H,1H3,(H2,19,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
kinesin spindle protein Mutant (D130V)


(Homo sapiens (Human))
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 1.19E+3n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for ispinesib-resistant DCT116-D130V cell


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50254433
PNG
(1-(2-methyl-5-(4-methylpiperazin-1-ylsulfonyl)fura...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1
Show InChI InChI=1S/C17H22N4O4S/c1-13-15(19-17(22)18-14-6-4-3-5-7-14)12-16(25-13)26(23,24)21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H2,18,19,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens (Human))
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 2.09E+3n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM50253974
PNG
(1-phenyl-3-(5-(piperidin-1-ylsulfonyl)furan-3-yl)u...)
Show SMILES O=C(Nc1coc(c1)S(=O)(=O)N1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C16H19N3O4S/c20-16(17-13-7-3-1-4-8-13)18-14-11-15(23-12-14)24(21,22)19-9-5-2-6-10-19/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,17,18,20)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of endothelial lipase (unknown origin)


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Rattus norvegicus)
BDBM50254393
PNG
(1-benzhydryl-3-(2-methyl-5-(piperidin-1-ylsulfonyl...)
Show SMILES Cc1oc(cc1NC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C24H27N3O4S/c1-18-21(17-22(31-18)32(29,30)27-15-9-4-10-16-27)25-24(28)26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,17,23H,4,9-10,15-16H2,1H3,(H2,25,26,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Lipoprotein lipase from adipose tissue of rat


Bioorg Med Chem Lett 19: 27-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.033
BindingDB Entry DOI: 10.7270/Q2BP02NZ
More data for this
Ligand-Target Pair
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