Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 3558   

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))	BDBM36350 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 [A356T] (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description wild-type HCT116 selected at 6WT-6x the IC95				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				3D Structure (crystal)
Kinesin-like protein KIF11 [A356T] (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description wild-type HCT116 selected at 3 the IC95				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				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87.3	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	675	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	903	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM50220156 ((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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	6.8	n/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-like protein KIF11 (Homo sapiens (Human))	BDBM36350 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	6.8	n/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				3D Structure (crystal)