Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'barasoain' and Initial = 'i'   

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
Tubulin beta chain (Sus scrofa)	BDBM50485941 (CHEMBL2181004) Show SMILES COc1ccc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc23)cc1 |r| Show InChI InChI=1S/C28H31NO6/c1-31-19-9-6-17(7-10-19)16-29-22-12-8-18-14-25(33-3)27(34-4)28(35-5)26(18)20-11-13-24(32-2)23(30)15-21(20)22/h6-7,9-11,13-15,22,29H,8,12,16H2,1-5H3/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485945 (CHEMBL2181003) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)[N+]([O-])=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28N2O7/c1-33-23-12-10-19-20(14-22(23)30)21(28-15-16-5-8-18(9-6-16)29(31)32)11-7-17-13-24(34-2)26(35-3)27(36-4)25(17)19/h5-6,8-10,12-14,21,28H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485942 (CHEMBL2181002) Show SMILES COc1cc2CC[C@H](NCc3cc(F)c(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H26F3NO5/c1-33-22-8-6-16-17(12-21(22)32)20(31-13-14-9-18(28)25(30)19(29)10-14)7-5-15-11-23(34-2)26(35-3)27(36-4)24(15)16/h6,8-12,20,31H,5,7,13H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485950 (CHEMBL2181009) Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28FNO5/c1-31-23-11-9-19-20(14-22(23)30)21(29-15-16-6-5-7-18(28)12-16)10-8-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-7,9,11-14,21,29H,8,10,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485944 (CHEMBL2181006) Show SMILES COc1cc2CC[C@H](NCc3ccc(Cl)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28ClNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485943 (CHEMBL2181001) Show SMILES COc1cc2CC[C@H](NCc3cc(F)cc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-23-8-6-19-20(13-22(23)31)21(30-14-15-9-17(28)12-18(29)10-15)7-5-16-11-24(33-2)26(34-3)27(35-4)25(16)19/h6,8-13,21,30H,5,7,14H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485946 (CHEMBL2181000) Show SMILES COc1cc2CC[C@H](NCc3ccc(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-23-10-7-17-18(13-22(23)31)21(30-14-15-5-8-19(28)20(29)11-15)9-6-16-12-24(33-2)26(34-3)27(35-4)25(16)17/h5,7-8,10-13,21,30H,6,9,14H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485947 (CHEMBL2181008) Show SMILES COc1cc2CC[C@H](NCc3ccc(F)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28FNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485949 (CHEMBL2180999) Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3F)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-22-11-9-17-18(13-21(22)31)20(30-14-16-6-5-7-19(28)25(16)29)10-8-15-12-23(33-2)26(34-3)27(35-4)24(15)17/h5-7,9,11-13,20,30H,8,10,14H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485948 (CHEMBL2181007) Show SMILES COc1cc2CC[C@H](NCc3ccc(I)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28INO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485940 (CHEMBL2181005) Show SMILES COc1cc2CC[C@H](NCc3ccc(Br)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28BrNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50485950 (CHEMBL2181009) Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28FNO5/c1-31-23-11-9-19-20(14-22(23)30)21(29-15-16-6-5-7-18(28)12-16)10-8-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-7,9,11-14,21,29H,8,10,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485946 (CHEMBL2181000) Show SMILES COc1cc2CC[C@H](NCc3ccc(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-23-10-7-17-18(13-22(23)31)21(30-14-15-5-8-19(28)20(29)11-15)9-6-16-12-24(33-2)26(34-3)27(35-4)25(16)17/h5,7-8,10-13,21,30H,6,9,14H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485949 (CHEMBL2180999) Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3F)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-22-11-9-17-18(13-21(22)31)20(30-14-16-6-5-7-19(28)25(16)29)10-8-15-12-23(33-2)26(34-3)27(35-4)24(15)17/h5-7,9,11-13,20,30H,8,10,14H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485944 (CHEMBL2181006) Show SMILES COc1cc2CC[C@H](NCc3ccc(Cl)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28ClNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485945 (CHEMBL2181003) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)[N+]([O-])=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H28N2O7/c1-33-23-12-10-19-20(14-22(23)30)21(28-15-16-5-8-18(9-6-16)29(31)32)11-7-17-13-24(34-2)26(35-3)27(36-4)25(17)19/h5-6,8-10,12-14,21,28H,7,11,15H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485943 (CHEMBL2181001) Show SMILES COc1cc2CC[C@H](NCc3cc(F)cc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H27F2NO5/c1-32-23-8-6-19-20(13-22(23)31)21(30-14-15-9-17(28)12-18(29)10-15)7-5-16-11-24(33-2)26(34-3)27(35-4)25(16)19/h6,8-13,21,30H,5,7,14H2,1-4H3/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485942 (CHEMBL2181002) Show SMILES COc1cc2CC[C@H](NCc3cc(F)c(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C27H26F3NO5/c1-33-22-8-6-16-17(12-21(22)32)20(31-13-14-9-18(28)25(30)19(29)10-14)7-5-15-11-23(34-2)26(35-3)27(36-4)24(15)16/h6,8-12,20,31H,5,7,13H2,1-4H3/t20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485941 (CHEMBL2181004) Show SMILES COc1ccc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc23)cc1 |r| Show InChI InChI=1S/C28H31NO6/c1-31-19-9-6-17(7-10-19)16-29-22-12-8-18-14-25(33-3)27(34-4)28(35-5)26(18)20-11-13-24(32-2)23(30)15-21(20)22/h6-7,9-11,13-15,22,29H,8,12,16H2,1-5H3/t22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bradford Curated by ChEMBL					Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay				J Med Chem 55: 11062-6 (2012) Article DOI: 10.1021/jm301151t BindingDB Entry DOI: 10.7270/Q22V2K0N
					More data for this Ligand-Target Pair				3D Structure (crystal)