Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P02550   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50009568 ((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50280009 (CHEMBL88059 | N-((S)-1,2,3-Trimethoxy-10-methylami...) Show SMILES CNc1ccc2-c3c(CC[C@H](NC(C)=O)c2cc1=O)cc(OC)c(OC)c3OC Show InChI InChI=1S/C22H26N2O5/c1-12(25)24-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-17(23-2)18(26)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,26)(H,24,25)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50280140 (CHEMBL418565 | [6-(3,4,5-Trimethoxy-benzyloxy)-imi...) Show SMILES COC(=O)Nc1cn2nc(OCc3cc(OC)c(OC)c(OC)c3)ccc2n1 Show InChI InChI=1S/C18H20N4O6/c1-24-12-7-11(8-13(25-2)17(12)26-3)10-28-16-6-5-15-19-14(9-22(15)21-16)20-18(23)27-4/h5-9H,10H2,1-4H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for competitive inhibition with radioligand [3H]colchicine at colchicine site of mammalian tubulin				Bioorg Med Chem Lett 2: 1257-1262 (1992) Article DOI: 10.1016/S0960-894X(00)80225-5 BindingDB Entry DOI: 10.7270/Q25X29DB
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	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 MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50280008 (2-Methylamino-5-(2,3,4-trimethoxy-phenyl)-cyclohep...) Show SMILES CNc1ccc(ccc1=O)-c1ccc(OC)c(OC)c1OC Show InChI InChI=1S/C17H19NO4/c1-18-13-8-5-11(6-9-14(13)19)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50279934 (2-Methoxy-5-(2,3,4-trimethoxy-phenyl)-cyclohepta-2...) Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(OC)c(=O)cc1 Show InChI InChI=1S/C17H18O5/c1-19-14-9-6-11(5-8-13(14)18)12-7-10-15(20-2)17(22-4)16(12)21-3/h5-10H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin alpha-1A chain (Sus scrofa (Pig))	BDBM50280007 (2-Methylsulfanyl-5-(2,3,4-trimethoxy-phenyl)-cyclo...) Show SMILES COc1ccc(c(OC)c1OC)-c1ccc(SC)c(=O)cc1 Show InChI InChI=1S/C17H18O4S/c1-19-14-9-7-12(16(20-2)17(14)21-3)11-5-8-13(18)15(22-4)10-6-11/h5-10H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay				Bioorg Med Chem Lett 1: 471-476 (1991) Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92
					More data for this Ligand-Target Pair