Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'nye' and Initial = 'c'   

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
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM50062938 (CHEMBL3397909 | N-[(3S)-1-Acryloyl-3-pyrrolidinyl]...) Show SMILES C[C@H](NCc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1)C(C)(C)C |r| Show InChI InChI=1S/C25H33N7OS/c1-6-22(33)32-11-9-18(15-32)28-20-12-17(14-27-16(2)25(3,4)5)13-21(30-20)31-24-29-19-8-7-10-26-23(19)34-24/h6-8,10,12-13,16,18,27H,1,9,11,14-15H2,2-5H3,(H2,28,29,30,31)/t16-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213220 (N-[(3S)-1-Acryloyl-3-pyrrolidinyl]-4-{[cis-2,6-dim...) Show SMILES C[C@H]1CN(Cc2cc(N[C@H]3CCN(C3)C(=O)C=C)nc(Nc3nc4cccnc4s3)c2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C25H31N7O2S/c1-4-23(33)32-9-7-19(15-32)27-21-10-18(14-31-12-16(2)34-17(3)13-31)11-22(29-21)30-25-28-20-6-5-8-26-24(20)35-25/h4-6,8,10-11,16-17,19H,1,7,9,12-15H2,2-3H3,(H2,27,28,29,30)/t16-,17+,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213221 ((S)-1-(3-((4-(Piperidin-1-ylmethyl)-6-(thiazolo[5,...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCCCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C24H29N7OS/c1-2-22(32)31-12-8-18(16-31)26-20-13-17(15-30-10-4-3-5-11-30)14-21(28-20)29-24-27-19-7-6-9-25-23(19)33-24/h2,6-7,9,13-14,18H,1,3-5,8,10-12,15-16H2,(H2,26,27,28,29)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213223 (1-((S)-3-((4-((((R)-3,3-Dimethylbutan-2-yl)amino)m...) Show SMILES C[C@@H](NCc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1)C(C)(C)C |r| Show InChI InChI=1S/C25H33N7OS/c1-6-22(33)32-11-9-18(15-32)28-20-12-17(14-27-16(2)25(3,4)5)13-21(30-20)31-24-29-19-8-7-10-26-23(19)34-24/h6-8,10,12-13,16,18,27H,1,9,11,14-15H2,2-5H3,(H2,28,29,30,31)/t16-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213219 ((S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C23H27N7O2S/c1-2-21(31)30-7-5-17(15-30)25-19-12-16(14-29-8-10-32-11-9-29)13-20(27-19)28-23-26-18-4-3-6-24-22(18)33-23/h2-4,6,12-13,17H,1,5,7-11,14-15H2,(H2,25,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213222 ((S)-1-(3-((4-((Dimethylamino)methyl)-6-(thiazolo[5...) Show SMILES CN(C)Cc1cc(N[C@H]2CCN(C2)C(=O)C=C)nc(Nc2nc3cccnc3s2)c1 |r| Show InChI InChI=1S/C21H25N7OS/c1-4-19(29)28-9-7-15(13-28)23-17-10-14(12-27(2)3)11-18(25-17)26-21-24-16-6-5-8-22-20(16)30-21/h4-6,8,10-11,15H,1,7,9,12-13H2,2-3H3,(H2,23,24,25,26)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213226 (N-{(3S)-1-[(2E)-2-Butenoyl]-3-pyrrolidinyl}-4-{[ci...) Show SMILES C\C=C\C(=O)N1CC[C@@H](C1)Nc1cc(CN2C[C@H](C)O[C@H](C)C2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C26H33N7O2S/c1-4-6-24(34)33-10-8-20(16-33)28-22-11-19(15-32-13-17(2)35-18(3)14-32)12-23(30-22)31-26-29-21-7-5-9-27-25(21)36-26/h4-7,9,11-12,17-18,20H,8,10,13-16H2,1-3H3,(H2,28,29,30,31)/b6-4+/t17-,18+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213212 ((trans)-4-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b...) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r,wU:1.0,wD:4.7,(1.15,-4.55,;-.18,-3.78,;-1.51,-4.55,;-2.85,-3.78,;-2.85,-2.24,;-1.51,-1.47,;-.18,-2.24,;-4.18,-1.47,;-4.18,.07,;-5.51,.84,;-5.51,2.38,;-6.85,3.15,;-6.85,4.69,;-5.51,5.46,;-5.51,7,;-6.85,7.77,;-8.18,7,;-8.18,5.46,;-4.18,3.15,;-2.85,2.38,;-1.51,3.15,;-.18,2.38,;1.23,3.01,;2.26,1.87,;3.8,1.87,;4.57,.53,;3.8,-.8,;2.26,-.8,;1.49,.53,;-.02,.85,;-2.85,.84,)| Show InChI InChI=1S/C21H27N7O2S/c29-16-5-3-14(4-6-16)23-20-24-15(13-28-8-10-30-11-9-28)12-18(26-20)27-21-25-17-2-1-7-22-19(17)31-21/h1-2,7,12,14,16,29H,3-6,8-11,13H2,(H2,23,24,25,26,27)/t14-,16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213219 ((S)-1-(3-((4-(Morpholinomethyl)-6-(thiazolo[5,4-b]...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1cc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C23H27N7O2S/c1-2-21(31)30-7-5-17(15-30)25-19-12-16(14-29-8-10-32-11-9-29)13-20(27-19)28-23-26-18-4-3-6-24-22(18)33-23/h2-4,6,12-13,17H,1,5,7-11,14-15H2,(H2,25,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213217 (N-(cis-3-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazol...) Show SMILES C=CC(=O)N[C@H]1CCC[C@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C24H30N8O2S/c1-2-21(33)26-16-5-3-6-17(13-16)27-23-28-18(15-32-9-11-34-12-10-32)14-20(30-23)31-24-29-19-7-4-8-25-22(19)35-24/h2,4,7-8,14,16-17H,1,3,5-6,9-13,15H2,(H,26,33)(H2,27,28,29,30,31)/t16-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213215 (N-(cis-2-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazol...) Show SMILES C=CC(=O)N[C@H]1CCCC[C@H]1Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C24H30N8O2S/c1-2-21(33)27-17-6-3-4-7-18(17)28-23-26-16(15-32-10-12-34-13-11-32)14-20(30-23)31-24-29-19-8-5-9-25-22(19)35-24/h2,5,8-9,14,17-18H,1,3-4,6-7,10-13,15H2,(H,27,33)(H2,26,28,29,30,31)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213214 (N2-(1-Acryloyl-4-piperidinyl)-6-(4-morpholinylmeth...) Show SMILES C=CC(=O)N1CCC(CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 Show InChI InChI=1S/C23H28N8O2S/c1-2-20(32)31-8-5-16(6-9-31)25-22-26-17(15-30-10-12-33-13-11-30)14-19(28-22)29-23-27-18-4-3-7-24-21(18)34-23/h2-4,7,14,16H,1,5-6,8-13,15H2,(H2,25,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213218 (N2-[(3S)-1-Acryloyl-3-pyrrolidinyl]-6-(4-morpholin...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C22H26N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h2-4,6,12,15H,1,5,7-11,13-14H2,(H2,24,25,26,27,28)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213213 (N-(2-{[4-(4-Morpholinylmethyl)-6-([1,3]thiazolo[5,...) Show SMILES C=CC(=O)NCCNc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 Show InChI InChI=1S/C20H24N8O2S/c1-2-17(29)21-6-7-23-19-24-14(13-28-8-10-30-11-9-28)12-16(26-19)27-20-25-15-4-3-5-22-18(15)31-20/h2-5,12H,1,6-11,13H2,(H,21,29)(H2,23,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213216 (N-(trans-4-{[4-(4-Morpholinylmethyl)-6-([1,3]thiaz...) Show SMILES C=CC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r,wU:5.4,wD:8.11,(-13.52,-3.78,;-12.18,-4.55,;-10.85,-3.78,;-10.85,-2.24,;-9.51,-4.55,;-8.18,-3.78,;-8.18,-2.24,;-6.85,-1.47,;-5.51,-2.24,;-5.51,-3.78,;-6.85,-4.55,;-4.18,-1.47,;-4.18,.07,;-5.51,.84,;-5.51,2.38,;-6.85,3.15,;-6.85,4.69,;-5.51,5.46,;-5.51,7,;-6.85,7.77,;-8.18,7,;-8.18,5.46,;-4.18,3.15,;-2.85,2.38,;-1.51,3.15,;-.18,2.38,;1.23,3.01,;2.26,1.87,;3.8,1.87,;4.57,.53,;3.8,-.8,;2.26,-.8,;1.49,.53,;-.02,.85,;-2.85,.84,)| Show InChI InChI=1S/C24H30N8O2S/c1-2-21(33)26-16-5-7-17(8-6-16)27-23-28-18(15-32-10-12-34-13-11-32)14-20(30-23)31-24-29-19-4-3-9-25-22(19)35-24/h2-4,9,14,16-17H,1,5-8,10-13,15H2,(H,26,33)(H2,27,28,29,30,31)/t16-,17-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK [357-620,Y512E] (Homo sapiens (Human))	BDBM213224 (N2-[(3R)-1-Acryloyl-3-pyrrolidinyl]-6-(4-morpholin...) Show SMILES C=CC(=O)N1CC[C@H](C1)Nc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1 |r| Show InChI InChI=1S/C22H26N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h2-4,6,12,15H,1,5,7-11,13-14H2,(H2,24,25,26,27,28)/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description This assay is based on the binding and displacement of Alexa-fluor 647-labeled ATP-competitive kinase inhibitor tracer 236. Binding of the tracer is ...				J Biol Chem 288: 28195-206 (2013) Article DOI: 10.1074/jbc.M113.474114 BindingDB Entry DOI: 10.7270/Q2ZW1JSK
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055045 (CHEMBL3323243) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C29H29NO7/c1-15-6-8-16(9-7-15)20-17-12-13-30(2)23(21(17)26(34-5)28-27(20)35-14-36-28)24-18-10-11-19(32-3)25(33-4)22(18)29(31)37-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055045 (CHEMBL3323243) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccc(C)cc1 |r| Show InChI InChI=1S/C29H29NO7/c1-15-6-8-16(9-7-15)20-17-12-13-30(2)23(21(17)26(34-5)28-27(20)35-14-36-28)24-18-10-11-19(32-3)25(33-4)22(18)29(31)37-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055046 (CHEMBL3323245) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1cccc(OC)c1 |r| Show InChI InChI=1S/C29H29NO8/c1-30-12-11-17-20(15-7-6-8-16(13-15)32-2)27-28(37-14-36-27)26(35-5)21(17)23(30)24-18-9-10-19(33-3)25(34-4)22(18)29(31)38-24/h6-10,13,23-24H,11-12,14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50424716 (NOSCAPINE | Narcotine | Tusscapine) Show SMILES COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 Show InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055044 (CHEMBL3323241) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(C)c3OCOc3c(OC)c12 |r| Show InChI InChI=1S/C23H25NO7/c1-11-12-8-9-24(2)17(15(12)21(28-5)22-18(11)29-10-30-22)19-13-6-7-14(26-3)20(27-4)16(13)23(25)31-19/h6-7,17,19H,8-10H2,1-5H3/t17-,19+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50424716 (NOSCAPINE | Narcotine | Tusscapine) Show SMILES COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2cc3OCOc3c(OC)c12 Show InChI InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055043 (CHEMBL3323244) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)| Show InChI InChI=1S/C29H29NO8/c1-30-13-12-16-20(15-8-6-7-9-18(15)32-2)27-28(37-14-36-27)26(35-5)21(16)23(30)24-17-10-11-19(33-3)25(34-4)22(17)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055046 (CHEMBL3323245) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1cccc(OC)c1 |r| Show InChI InChI=1S/C29H29NO8/c1-30-12-11-17-20(15-7-6-8-16(13-15)32-2)27-28(37-14-36-27)26(35-5)21(17)23(30)24-18-9-10-19(33-3)25(34-4)22(18)29(31)38-24/h6-10,13,23-24H,11-12,14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055043 (CHEMBL3323244) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)| Show InChI InChI=1S/C29H29NO8/c1-30-13-12-16-20(15-8-6-7-9-18(15)32-2)27-28(37-14-36-27)26(35-5)21(16)23(30)24-17-10-11-19(33-3)25(34-4)22(17)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055041 (CHEMBL3323240) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r| Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055041 (CHEMBL3323240) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r| Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055042 (CHEMBL3323242) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055042 (CHEMBL3323242) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055043 (CHEMBL3323244) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)| Show InChI InChI=1S/C29H29NO8/c1-30-13-12-16-20(15-8-6-7-9-18(15)32-2)27-28(37-14-36-27)26(35-5)21(16)23(30)24-17-10-11-19(33-3)25(34-4)22(17)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055044 (CHEMBL3323241) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(C)c3OCOc3c(OC)c12 |r| Show InChI InChI=1S/C23H25NO7/c1-11-12-8-9-24(2)17(15(12)21(28-5)22-18(11)29-10-30-22)19-13-6-7-14(26-3)20(27-4)16(13)23(25)31-19/h6-7,17,19H,8-10H2,1-5H3/t17-,19+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055042 (CHEMBL3323242) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1 |r| Show InChI InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50055041 (CHEMBL3323240) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r| Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry				Eur J Med Chem 84: 476-90 (2014) Article DOI: 10.1016/j.ejmech.2014.07.050 BindingDB Entry DOI: 10.7270/Q2VH5QGD
					More data for this Ligand-Target Pair