Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'okamoto' 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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313166 ((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50211219 (elaeocarpenine) Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50211219 (elaeocarpenine) Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50211219 (elaeocarpenine) Show SMILES Cc1cccc(O)c1C(=O)C1=CCC[NH+]2CCC[C@H]12 |t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/p+1/t13-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313164 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-metho...) Show SMILES COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H21NO2/c1-12-6-3-9-15(20-2)16(12)17(19)13-7-4-10-18-11-5-8-14(13)18/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313166 ((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313165 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10| Show InChI InChI=1S/C15H17NO2/c17-14-8-2-1-5-12(14)15(18)11-6-3-9-16-10-4-7-13(11)16/h1-2,5-6,8,13,17H,3-4,7,9-10H2/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50313165 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10| Show InChI InChI=1S/C15H17NO2/c17-14-8-2-1-5-12(14)15(18)11-6-3-9-16-10-4-7-13(11)16/h1-2,5-6,8,13,17H,3-4,7,9-10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313167 ((S,E)-(2,3,5,6,7,9a-hexahydro-1H-pyrrolo[1,2-a]aze...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C17H21NO2/c1-12-6-4-9-15(19)16(12)17(20)13-7-2-3-10-18-11-5-8-14(13)18/h4,6-7,9,14,19H,2-3,5,8,10-11H2,1H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313165 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Oc1ccccc1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:10| Show InChI InChI=1S/C15H17NO2/c17-14-8-2-1-5-12(14)15(18)11-6-3-9-16-10-4-7-13(11)16/h1-2,5-6,8,13,17H,3-4,7,9-10H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313166 ((S)-(2-hydroxy-6-methylphenyl)(2,3,5,7a-tetrahydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C15H17NO2/c1-10-4-2-6-13(17)14(10)15(18)11-7-9-16-8-3-5-12(11)16/h2,4,6-7,12,17H,3,5,8-9H2,1H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50313164 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-metho...) Show SMILES COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H21NO2/c1-12-6-3-9-15(20-2)16(12)17(19)13-7-4-10-18-11-5-8-14(13)18/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from human delta opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50313164 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-metho...) Show SMILES COc1cccc(C)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:12| Show InChI InChI=1S/C17H21NO2/c1-12-6-3-9-15(20-2)16(12)17(19)13-7-4-10-18-11-5-8-14(13)18/h3,6-7,9,14H,4-5,8,10-11H2,1-2H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50483304 (11-Epi-Tubulysin D) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@H](C[C@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28+,30+,31-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50012278 ((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...) Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta chain (Sus scrofa)	BDBM50483305 (13-Epi-Tubulysin D) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31+,32-/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
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50483306 (CHEBI:80036 | Tubulysin D) Show SMILES [H][C@](NC(=O)[C@@]1([H])CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C43H65N5O9S/c1-10-28(6)38(46-40(52)34-18-14-15-19-47(34)9)42(53)48(25-56-37(50)20-26(2)3)35(27(4)5)23-36(57-30(8)49)41-45-33(24-58-41)39(51)44-32(21-29(7)43(54)55)22-31-16-12-11-13-17-31/h11-13,16-17,24,26-29,32,34-36,38H,10,14-15,18-23,25H2,1-9H3,(H,44,51)(H,46,52)(H,54,55)/t28-,29-,32+,34+,35+,36+,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG 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
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50483307 (CHEMBL1643767) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N[C@@H](C[C@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31-,32-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co Ltd Curated by ChEMBL					Assay Description Inhibition of porcine brain tubulin polymerization by microtubule assembly assay				Bioorg Med Chem Lett 21: 431-4 (2011) Article DOI: 10.1016/j.bmcl.2010.10.118 BindingDB Entry DOI: 10.7270/Q21J9DMW
					More data for this Ligand-Target Pair