Compile Data Set for Download or QSAR

Found 12 hits of kd data for polymerid = 50006718   

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 beta chain (Sus scrofa)	BDBM50485036 (CHEMBL2024544) Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2cc(F)ccc2F)[nH]c1=O Show InChI InChI=1S/C19H18F2N4O2/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-6-11(20)4-5-12(10)21/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26)/b14-7-,15-8-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				J Med Chem 55: 1056-71 (2012) Article DOI: 10.1021/jm2009088 BindingDB Entry DOI: 10.7270/Q20R9S8Q
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50485035 (CHEMBL2024561) Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2cccc(c2)C(=O)c2ccccc2)[nH]c1=O Show InChI InChI=1S/C26H24N4O3/c1-26(2,3)23-19(27-15-28-23)14-21-25(33)29-20(24(32)30-21)13-16-8-7-11-18(12-16)22(31)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,27,28)(H,29,33)(H,30,32)/b20-13-,21-14-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				J Med Chem 55: 1056-71 (2012) Article DOI: 10.1021/jm2009088 BindingDB Entry DOI: 10.7270/Q20R9S8Q
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50030765 (NPI-2358 | Plinabulin) Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				Bioorg Med Chem 19: 595-602 (2011) Article DOI: 10.1016/j.bmc.2010.10.055 BindingDB Entry DOI: 10.7270/Q2WS8X2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50030765 (NPI-2358 | Plinabulin) Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to pig tubulin after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 18: 3169-74 (2010) Article DOI: 10.1016/j.bmc.2010.03.037 BindingDB Entry DOI: 10.7270/Q2QR50Z5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50030765 (NPI-2358 | Plinabulin) Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				J Med Chem 55: 1056-71 (2012) Article DOI: 10.1021/jm2009088 BindingDB Entry DOI: 10.7270/Q20R9S8Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50030766 (CHEMBL3342339) Show SMILES O=C(c1ccccc1)c1cccc(\C=c2/[nH]c(=O)\c(=C\c3ccccn3)[nH]c2=O)c1 Show InChI InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometry				ACS Med Chem Lett 5: 1094-8 (2014) Article DOI: 10.1021/ml5001883 BindingDB Entry DOI: 10.7270/Q2R49SCP
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50520178 (CHEMBL4468642) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cccc(n1)-c1ccc(C)c(O)c1 Show InChI InChI=1S/C22H21NO5/c1-13-8-9-14(10-18(13)24)16-6-5-7-17(23-16)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12,24H,1-4H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to porcine brain tubulin polymerization by surface plasmon analysis analysis				J Med Chem 63: 827-846 (2020) Article DOI: 10.1021/acs.jmedchem.9b01815 BindingDB Entry DOI: 10.7270/Q280560G
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				Bioorg Med Chem 19: 595-602 (2011) Article DOI: 10.1016/j.bmc.2010.10.055 BindingDB Entry DOI: 10.7270/Q2WS8X2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50482143 (CHEMBL1077255 | KPU-244-B2) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCc3ccc(cc3)C(=O)c3cccc(\C=c4/[nH]c(=O)\c(=C\c5ncoc5C(C)(C)C)[nH]c4=O)c3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C49H62N8O8S/c1-49(2,3)45-35(53-30-65-45)27-37-47(63)54-36(46(62)55-37)26-32-13-12-14-34(25-32)44(61)33-21-19-31(20-22-33)28-52-42(60)17-7-5-11-23-50-40(58)16-6-4-10-24-51-41(59)18-9-8-15-39-43-38(29-66-39)56-48(64)57-43/h12-14,19-22,25-27,30,38-39,43H,4-11,15-18,23-24,28-29H2,1-3H3,(H,50,58)(H,51,59)(H,52,60)(H,54,63)(H,55,62)(H2,56,57,64)/b36-26-,37-27-/t38-,39-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.74E+3	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to pig tubulin after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 18: 3169-74 (2010) Article DOI: 10.1016/j.bmc.2010.03.037 BindingDB Entry DOI: 10.7270/Q2QR50Z5
					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	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to porcine brain tubulin polymerization by surface plasmon analysis analysis				J Med Chem 63: 827-846 (2020) Article DOI: 10.1021/acs.jmedchem.9b01815 BindingDB Entry DOI: 10.7270/Q280560G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50483308 (CHEMBL1643852) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCn3cc(CC(C)(C)c4ocnc4\C=c4/[nH]c(=O)\c(=C\c5cccc(c5)C(=O)c5ccccc5)[nH]c4=O)nn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C53H67N11O8S/c1-53(2,49-39(57-34-72-49)30-41-51(70)58-40(50(69)59-41)29-35-16-14-19-37(28-35)48(68)36-17-6-3-7-18-36)31-38-32-64(63-62-38)27-15-26-56-45(66)22-9-5-12-24-54-44(65)21-8-4-13-25-55-46(67)23-11-10-20-43-47-42(33-73-43)60-52(71)61-47/h3,6-7,14,16-19,28-30,32,34,42-43,47H,4-5,8-13,15,20-27,31,33H2,1-2H3,(H,54,65)(H,55,67)(H,56,66)(H,58,70)(H,59,69)(H2,60,61,71)/b40-29-,41-30-/t42-,43-,47-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis				Bioorg Med Chem 19: 595-602 (2011) Article DOI: 10.1016/j.bmc.2010.10.055 BindingDB Entry DOI: 10.7270/Q2WS8X2Q
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50482142 (CHEMBL1096312 | KPU-244-B3) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCc3ccc(cc3)C(=O)c3cccc(\C=c4/[nH]c(=O)\c(=C\c5ncoc5C(C)(C)C)[nH]c4=O)c3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C85H130N16O14S/c1-85(2,3)79-65(95-58-115-79)55-67-83(113)98-66(82(112)99-67)54-60-29-28-30-62(53-60)78(109)61-43-41-59(42-44-61)56-94-75(107)38-14-7-25-49-90-71(103)35-11-4-22-47-88-70(102)34-10-5-23-48-89-73(105)37-13-8-27-52-93-80(110)63(31-18-20-45-86)97-81(111)64(32-19-21-46-87)96-76(108)40-15-9-26-51-91-72(104)36-12-6-24-50-92-74(106)39-17-16-33-69-77-68(57-116-69)100-84(114)101-77/h28-30,41-44,53-55,58,63-64,68-69,77H,4-27,31-40,45-52,56-57,86-87H2,1-3H3,(H,88,102)(H,89,105)(H,90,103)(H,91,104)(H,92,106)(H,93,110)(H,94,107)(H,96,108)(H,97,111)(H,98,113)(H,99,112)(H2,100,101,114)/b66-54-,67-55-/t63-,64-,68-,69-,77-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Binding affinity to pig tubulin after 1 hr by fluorescence quenching analysis				Bioorg Med Chem 18: 3169-74 (2010) Article DOI: 10.1016/j.bmc.2010.03.037 BindingDB Entry DOI: 10.7270/Q2QR50Z5
					More data for this Ligand-Target Pair