Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'cosentino' and Initial = 'l'   

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)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030567 (6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...) Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)| Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oli...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030566 (6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...) Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as DNA dependent DNA polymerase associated activity by using 0.05 units of radiolabeled template poly(rA)-oli...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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	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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030567 (6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...) Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)| Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rA)-ol...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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 alpha-1A chain (Sus scrofa (Pig))	BDBM50470858 (CHEMBL18351) Show SMILES COc1ccc(cc1O)-c1oc2c(OC)c(OC)c(OC)c(O)c2c(=O)c1OC Show InChI InChI=1S/C20H20O9/c1-24-11-7-6-9(8-10(11)21)15-17(25-2)13(22)12-14(23)18(26-3)20(28-5)19(27-4)16(12)29-15/h6-8,21,23H,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibitory activity of the compound against tubulin polymerization				J Med Chem 39: 1975-80 (1996) Article DOI: 10.1021/jm960008c BindingDB Entry DOI: 10.7270/Q2MC92R3
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030566 (6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...) Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 1*10e-3 units of radiolabeled template poly(rC)-...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030566 (6-Bromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dioxolyl...) Show SMILES COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(7.96,-9.5,;6.42,-9.5,;5.65,-8.17,;6.42,-6.84,;4.11,-8.17,;4.11,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;1.45,-9.71,;-.02,-10.2,;-.93,-8.94,;-.02,-7.7,;1.45,-8.17,;2.78,-7.4,;2.78,-5.86,;1.45,-5.09,;-.02,-5.58,;-.93,-4.32,;-.02,-3.06,;1.45,-3.55,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;4.11,-3.55,;5.44,-2.78,;4.11,-5.09,;5.41,-5.35,;5.47,-6.63,;6.87,-4.77,;8.03,-5.65,)| Show InChI InChI=1S/C20H17BrO10/c1-24-9-5-8(19(22)26-3)10(15-14(9)28-6-29-15)11-12(20(23)27-4)13(21)17(25-2)18-16(11)30-7-31-18/h5H,6-7H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 1*10e-3 units of radiolabeled template poly(rA)-...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					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)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50030567 (6,6'-Dibromo-7,7'-dimethoxy-[4,4']bi[benzo[1,3]dio...) Show SMILES COC(=O)c1c(Br)c(OC)c2OCOc2c1-c1c2OCOc2c(OC)c(Br)c1C(=O)OC |(8.03,-5.65,;6.87,-4.77,;5.41,-5.35,;5.47,-6.63,;4.11,-5.09,;4.11,-3.55,;5.44,-2.78,;2.78,-2.78,;2.78,-1.24,;4.11,-.47,;1.45,-3.55,;-.02,-3.06,;-.93,-4.32,;-.02,-5.58,;1.45,-5.09,;2.78,-5.86,;2.78,-7.4,;1.45,-8.17,;-.02,-7.7,;-.93,-8.94,;-.02,-10.2,;1.45,-9.71,;2.78,-10.48,;2.78,-12.02,;1.45,-12.79,;4.11,-9.71,;5.46,-10.48,;4.11,-8.17,;5.65,-8.17,;6.42,-6.84,;6.42,-9.5,;7.96,-9.5,)| Show InChI InChI=1S/C20H16Br2O10/c1-25-15-11(21)9(19(23)27-3)7(13-17(15)31-5-29-13)8-10(20(24)28-4)12(22)16(26-2)18-14(8)30-6-32-18/h5-6H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill 27599 Curated by ChEMBL					Assay Description IC50 value of the compound was measured as RNA dependent DNA polymerase associated activity by using 10e-3 units of radiolabeled template poly(rC)-ol...				J Med Chem 38: 3003-8 (1995) BindingDB Entry DOI: 10.7270/Q23J3C0R
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50292433 (CHEMBL502585 | betulinic acid 3-O-sulfonate potass...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C30H48O6S/c1-18(2)19-10-15-30(25(31)32)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(36-37(33,34)35)26(3,4)21(27)11-14-29(22,28)7/h19-24H,1,8-17H2,2-7H3,(H,31,32)(H,33,34,35)/p-1/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC gamma				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC delta				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C gamma type (Homo sapiens (Human))	BDBM50292432 (Betulinic acid 3-O-benzoate | CHEMBL509553) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C37H52O4/c1-23(2)25-15-20-37(32(39)40)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(41-31(38)24-11-9-8-10-12-24)33(3,4)27(34)16-19-36(28,35)7/h8-12,25-30H,1,13-22H2,2-7H3,(H,39,40)/t25-,26+,27-,28+,29-,30+,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC gamma				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50292432 (Betulinic acid 3-O-benzoate | CHEMBL509553) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C37H52O4/c1-23(2)25-15-20-37(32(39)40)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(41-31(38)24-11-9-8-10-12-24)33(3,4)27(34)16-19-36(28,35)7/h8-12,25-30H,1,13-22H2,2-7H3,(H,39,40)/t25-,26+,27-,28+,29-,30+,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50292435 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-((E)...) Show SMILES C\C=C\C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r| Show InChI InChI=1S/C34H52O4/c1-9-10-27(35)38-26-15-16-31(6)24(30(26,4)5)14-17-33(8)25(31)12-11-23-28-22(21(2)3)13-18-34(28,29(36)37)20-19-32(23,33)7/h9-10,22-26,28H,2,11-20H2,1,3-8H3,(H,36,37)/b10-9+/t22-,23+,24-,25+,26-,28+,31-,32+,33+,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50292433 (CHEMBL502585 | betulinic acid 3-O-sulfonate potass...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C30H48O6S/c1-18(2)19-10-15-30(25(31)32)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(36-37(33,34)35)26(3,4)21(27)11-14-29(22,28)7/h19-24H,1,8-17H2,2-7H3,(H,31,32)(H,33,34,35)/p-1/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50292432 (Betulinic acid 3-O-benzoate | CHEMBL509553) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C37H52O4/c1-23(2)25-15-20-37(32(39)40)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(41-31(38)24-11-9-8-10-12-24)33(3,4)27(34)16-19-36(28,35)7/h8-12,25-30H,1,13-22H2,2-7H3,(H,39,40)/t25-,26+,27-,28+,29-,30+,34-,35+,36+,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50103967 ((3-O-acetyl)betulinic acid | 3-acetylbetulinic aci...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50292434 (CHEMBL509422 | betulinic acid 28-O-carboxymethylme...) Show SMILES COC(=O)COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r| Show InChI InChI=1S/C33H52O5/c1-20(2)21-11-16-33(28(36)38-19-26(35)37-8)18-17-31(6)22(27(21)33)9-10-24-30(5)14-13-25(34)29(3,4)23(30)12-15-32(24,31)7/h21-25,27,34H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25-,27+,30-,31+,32+,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM23207 ((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...) Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50103962 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-Acet...) Show SMILES CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50103967 ((3-O-acetyl)betulinic acid | 3-acetylbetulinic aci...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50292434 (CHEMBL509422 | betulinic acid 28-O-carboxymethylme...) Show SMILES COC(=O)COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r| Show InChI InChI=1S/C33H52O5/c1-20(2)21-11-16-33(28(36)38-19-26(35)37-8)18-17-31(6)22(27(21)33)9-10-24-30(5)14-13-25(34)29(3,4)23(30)12-15-32(24,31)7/h21-25,27,34H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25-,27+,30-,31+,32+,33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM23207 ((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...) Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50103962 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-Acet...) Show SMILES CC(=O)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC epsilon				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50002692 ((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...) Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50292435 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-((E)...) Show SMILES C\C=C\C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C |r| Show InChI InChI=1S/C34H52O4/c1-9-10-27(35)38-26-15-16-31(6)24(30(26,4)5)14-17-33(8)25(31)12-11-23-28-22(21(2)3)13-18-34(28,29(36)37)20-19-32(23,33)7/h9-10,22-26,28H,2,11-20H2,1,3-8H3,(H,36,37)/b10-9+/t22-,23+,24-,25+,26-,28+,31-,32+,33+,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50292433 (CHEMBL502585 | betulinic acid 3-O-sulfonate potass...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS([O-])(=O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C30H48O6S/c1-18(2)19-10-15-30(25(31)32)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(36-37(33,34)35)26(3,4)21(27)11-14-29(22,28)7/h19-24H,1,8-17H2,2-7H3,(H,31,32)(H,33,34,35)/p-1/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50292431 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r| Show InChI InChI=1S/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PKC beta2				J Nat Prod 57: 243-247 (1994) Article DOI: 10.1021/np50104a008 BindingDB Entry DOI: 10.7270/Q2TT4R0Z
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50050957 ((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(4-c...) Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O Show InChI InChI=1S/C37H58O6/c1-22(2)23-12-17-37(31(41)42)19-18-35(8)24(30(23)37)10-11-26-34(7)15-14-27(33(5,6)25(34)13-16-36(26,35)9)43-29(40)21-32(3,4)20-28(38)39/h23-27,30H,1,10-21H2,2-9H3,(H,38,39)(H,41,42)/t23-,24+,25-,26+,27-,30+,34-,35+,36+,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-RT				J Med Chem 39: 1016-7 (1996) Article DOI: 10.1021/jm950922q BindingDB Entry DOI: 10.7270/Q2PN94QV
					More data for this Ligand-Target Pair

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