Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50003516   

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
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50139772 (22-oxovincaleukoblastine | leurocristine | vincris...) Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49| Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation				J Med Chem 41: 1524-30 (1998) Article DOI: 10.1021/jm970800t BindingDB Entry DOI: 10.7270/Q2MW2KV5
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50216333 (CHEBI:67357 | DOLASTATIN-10 | Dolastatin 10 | Dolo...) Show SMILES [H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1 |r| Show InChI InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation				J Med Chem 41: 1524-30 (1998) Article DOI: 10.1021/jm970800t BindingDB Entry DOI: 10.7270/Q2MW2KV5
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50472222 (CHEMBL608244) Show SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |r,c:36| Show InChI InChI=1S/C44H69N5O9/c1-14-29(8)39(47(11)42(53)37(26(2)3)45-41(52)38(27(4)5)46(9)10)34(57-13)25-35(50)48-22-18-21-31(48)44(55)58-40(28(6)7)43(54)49-32(33(56-12)24-36(49)51)23-30-19-16-15-17-20-30/h15-17,19-20,24,26-29,31-32,34,37-40H,14,18,21-23,25H2,1-13H3,(H,45,52)/t29-,31-,32-,34+,37-,38-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation				J Med Chem 41: 1524-30 (1998) Article DOI: 10.1021/jm970800t BindingDB Entry DOI: 10.7270/Q2MW2KV5
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50472221 (CHEMBL37030) Show SMILES [H][C@]1(CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)NC(Cc1ccccc1)c1nccs1 Show InChI InChI=1S/C43H67N7O6S/c1-26(2)34(46-39(52)35(27(3)4)47(8)9)42(54)48(10)36(28(5)6)43(55)50-23-16-20-33(50)41(53)49-22-15-19-32(49)37(56-11)29(7)38(51)45-31(40-44-21-24-57-40)25-30-17-13-12-14-18-30/h12-14,17-18,21,24,26-29,31-37H,15-16,19-20,22-23,25H2,1-11H3,(H,45,51)(H,46,52)/t29-,31?,32+,33+,34+,35+,36+,37-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation				J Med Chem 41: 1524-30 (1998) Article DOI: 10.1021/jm970800t BindingDB Entry DOI: 10.7270/Q2MW2KV5
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50472220 (Dolastatin 15 | Dolostatin 15) Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)[C@@H](OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C |r,t:2| Show InChI InChI=1S/C45H68N6O9/c1-26(2)36(46-40(53)37(27(3)4)47(9)10)42(55)48(11)38(28(5)6)43(56)49-22-16-20-31(49)41(54)50-23-17-21-32(50)45(58)60-39(29(7)8)44(57)51-33(34(59-12)25-35(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-33,36-39H,16-17,20-24H2,1-12H3,(H,46,53)/t31-,32-,33-,36-,37-,38-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
UPR 9023 CNRS Curated by ChEMBL					Assay Description In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation				J Med Chem 41: 1524-30 (1998) Article DOI: 10.1021/jm970800t BindingDB Entry DOI: 10.7270/Q2MW2KV5
					More data for this Ligand-Target Pair