Compile Data Set for Download or QSAR

Found 8656 hits with Last Name = 'knox' and Initial = 'je'   

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
Genome polyprotein (Dengue virus 2)	BDBM50175982 (Bz-Lys-Arg-Arg-H | CHEMBL199510) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C25H42N10O4/c26-13-5-4-11-19(34-21(37)17-8-2-1-3-9-17)23(39)35-20(12-7-15-32-25(29)30)22(38)33-18(16-36)10-6-14-31-24(27)28/h1-3,8-9,16,18-20H,4-7,10-15,26H2,(H,33,38)(H,34,37)(H,35,39)(H4,27,28,31)(H4,29,30,32)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175984 (BZ-Nle-Lys-Arg-(4-guanidinyl)-Phe-H | Bz-Nle-Lys-A...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C35H53N11O5/c1-2-3-12-27(44-30(48)24-10-5-4-6-11-24)32(50)45-28(13-7-8-19-36)33(51)46-29(14-9-20-41-34(37)38)31(49)42-26(22-47)21-23-15-17-25(18-16-23)43-35(39)40/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,42,49)(H,44,48)(H,45,50)(H,46,51)(H4,37,38,41)(H4,39,40,43)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175976 (Bz-Ala-Lys-Arg-Arg-H | CHEMBL197765) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C28H47N11O5/c1-18(36-24(42)19-9-3-2-4-10-19)23(41)38-21(12-5-6-14-29)26(44)39-22(13-8-16-35-28(32)33)25(43)37-20(17-40)11-7-15-34-27(30)31/h2-4,9-10,17-18,20-22H,5-8,11-16,29H2,1H3,(H,36,42)(H,37,43)(H,38,41)(H,39,44)(H4,30,31,34)(H4,32,33,35)/t18-,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM33259 (Bz-NKRR-H | Bz-Nle-Lys-Arg-Arg-H | CHEMBL256877) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175988 (Bz-Nle-Lys-Arg-(p-Me)Phe-H | CHEMBL199396) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#6])cc1)-[#6]=O Show InChI InChI=1S/C35H52N8O5/c1-3-4-13-28(41-31(45)26-11-6-5-7-12-26)33(47)42-29(14-8-9-20-36)34(48)43-30(15-10-21-39-35(37)38)32(46)40-27(23-44)22-25-18-16-24(2)17-19-25/h5-7,11-12,16-19,23,27-30H,3-4,8-10,13-15,20-22,36H2,1-2H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175987 (Bz-Phe-Lys-Arg-Arg-H | CHEMBL199736) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C34H51N11O5/c35-18-8-7-16-26(44-32(50)28(21-23-11-3-1-4-12-23)45-29(47)24-13-5-2-6-14-24)31(49)43-27(17-10-20-41-34(38)39)30(48)42-25(22-46)15-9-19-40-33(36)37/h1-6,11-14,22,25-28H,7-10,15-21,35H2,(H,42,48)(H,43,49)(H,44,50)(H,45,47)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175974 (Bz-Nle-Lys-Arg-Trp-H | CHEMBL433993) Show SMILES CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |wU:4.4,26.26,wD:17.17,37.37,(24.2,-41.88,;22.87,-42.66,;22.88,-44.2,;21.55,-44.97,;21.55,-46.51,;20.22,-47.29,;18.89,-46.52,;18.88,-44.98,;17.56,-47.3,;16.21,-46.53,;14.87,-47.3,;14.87,-48.86,;16.21,-49.64,;17.56,-48.86,;22.89,-47.28,;22.9,-48.82,;24.22,-46.5,;25.56,-47.27,;25.56,-48.81,;24.23,-49.58,;24.24,-51.12,;22.91,-51.9,;22.92,-53.44,;26.89,-46.49,;26.88,-44.95,;28.23,-47.25,;29.56,-46.48,;29.56,-44.94,;30.9,-44.18,;30.91,-42.64,;32.24,-41.87,;32.25,-40.33,;33.58,-39.57,;30.92,-39.56,;30.89,-47.26,;30.88,-48.8,;32.22,-46.49,;33.55,-47.27,;33.55,-48.81,;34.87,-49.59,;34.71,-51.12,;36.12,-51.75,;37.15,-50.6,;38.71,-50.6,;39.47,-49.26,;38.69,-47.92,;37.15,-47.93,;36.38,-49.26,;34.89,-46.5,;34.9,-44.96,)| Show InChI InChI=1S/C36H51N9O5/c1-2-3-15-29(43-32(47)24-12-5-4-6-13-24)34(49)44-30(17-9-10-19-37)35(50)45-31(18-11-20-40-36(38)39)33(48)42-26(23-46)21-25-22-41-28-16-8-7-14-27(25)28/h4-8,12-14,16,22-23,26,29-31,41H,2-3,9-11,15,17-21,37H2,1H3,(H,42,48)(H,43,47)(H,44,49)(H,45,50)(H4,38,39,40)/t26-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175993 (Bz-D-Nle-Lys-Arg-Arg-H | CHEMBL201775) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23+,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175978 (Bz-Nle-Lys-Arg-(p-Ph)Phe-H | CHEMBL381854) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1ccccc1)-[#6]=O Show InChI InChI=1S/C40H54N8O5/c1-2-3-17-33(46-36(50)31-15-8-5-9-16-31)38(52)47-34(18-10-11-24-41)39(53)48-35(19-12-25-44-40(42)43)37(51)45-32(27-49)26-28-20-22-30(23-21-28)29-13-6-4-7-14-29/h4-9,13-16,20-23,27,32-35H,2-3,10-12,17-19,24-26,41H2,1H3,(H,45,51)(H,46,50)(H,47,52)(H,48,53)(H4,42,43,44)/t32-,33-,34-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175981 (Bz-Arg-Arg-H | CHEMBL197766) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccccc1)-[#6]=O |r| Show InChI InChI=1S/C19H30N8O3/c20-18(21)24-10-4-8-14(12-28)26-17(30)15(9-5-11-25-19(22)23)27-16(29)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11H2,(H,26,30)(H,27,29)(H4,20,21,24)(H4,22,23,25)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175985 (Bz-Nle-Phe-Arg-Arg-H | CHEMBL199582) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C34H50N10O5/c1-2-3-17-26(42-29(46)24-14-8-5-9-15-24)31(48)44-28(21-23-12-6-4-7-13-23)32(49)43-27(18-11-20-40-34(37)38)30(47)41-25(22-45)16-10-19-39-33(35)36/h4-9,12-15,22,25-28H,2-3,10-11,16-21H2,1H3,(H,41,47)(H,42,46)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t25-,26-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175986 (Bz-Nle-Lys-Arg-Phe-H | CHEMBL199727) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6]=O |r| Show InChI InChI=1S/C34H50N8O5/c1-2-3-17-27(40-30(44)25-15-8-5-9-16-25)32(46)41-28(18-10-11-20-35)33(47)42-29(19-12-21-38-34(36)37)31(45)39-26(23-43)22-24-13-6-4-7-14-24/h4-9,13-16,23,26-29H,2-3,10-12,17-22,35H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,36,37,38)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175968 (Bz-Nle-Lys-Arg-(p-CN)Phe-H | CHEMBL200095) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)C#N)-[#6]=O Show InChI InChI=1S/C35H49N9O5/c1-2-3-12-28(42-31(46)26-10-5-4-6-11-26)33(48)43-29(13-7-8-19-36)34(49)44-30(14-9-20-40-35(38)39)32(47)41-27(23-45)21-24-15-17-25(22-37)18-16-24/h4-6,10-11,15-18,23,27-30H,2-3,7-9,12-14,19-21,36H2,1H3,(H,41,47)(H,42,46)(H,43,48)(H,44,49)(H4,38,39,40)/t27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175971 (Bz-Nle-Lys-Arg-Lys-H | CHEMBL377076) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N9O5/c1-2-3-15-24(38-27(42)22-12-5-4-6-13-22)29(44)39-25(16-8-10-19-33)30(45)40-26(17-11-20-36-31(34)35)28(43)37-23(21-41)14-7-9-18-32/h4-6,12-13,21,23-26H,2-3,7-11,14-20,32-33H2,1H3,(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175970 (Bz-Nle-Ala-Arg-Arg-H | CHEMBL369916) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C28H46N10O5/c1-3-4-13-21(38-24(41)19-10-6-5-7-11-19)25(42)35-18(2)23(40)37-22(14-9-16-34-28(31)32)26(43)36-20(17-39)12-8-15-33-27(29)30/h5-7,10-11,17-18,20-22H,3-4,8-9,12-16H2,1-2H3,(H,35,42)(H,36,43)(H,37,40)(H,38,41)(H4,29,30,33)(H4,31,32,34)/t18-,20-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175975 (Bz-Nle-D-Lys-Arg-Arg-H | CHEMBL370138) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24+,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175991 (Bz-Nle-Lys-Arg-Phg-H | CHEMBL200972) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]=O)-c1ccccc1 |r| Show InChI InChI=1S/C33H48N8O5/c1-2-3-17-25(38-29(43)24-15-8-5-9-16-24)30(44)39-26(18-10-11-20-34)31(45)40-27(19-12-21-37-33(35)36)32(46)41-28(22-42)23-13-6-4-7-14-23/h4-9,13-16,22,25-28H,2-3,10-12,17-21,34H2,1H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H4,35,36,37)/t25-,26-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175990 (Bz-Nle-Lys-Phe-Arg-H | CHEMBL435122) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C34H50N8O5/c1-2-3-18-27(40-30(44)25-15-8-5-9-16-25)31(45)41-28(19-10-11-20-35)32(46)42-29(22-24-13-6-4-7-14-24)33(47)39-26(23-43)17-12-21-38-34(36)37/h4-9,13-16,23,26-29H,2-3,10-12,17-22,35H2,1H3,(H,39,47)(H,40,44)(H,41,45)(H,42,46)(H4,36,37,38)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175977 (Bz-Nle-Lys-Lys-Arg-H | CHEMBL201609) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r| Show InChI InChI=1S/C31H53N9O5/c1-2-3-15-24(38-27(42)22-12-5-4-6-13-22)29(44)40-26(17-8-10-19-33)30(45)39-25(16-7-9-18-32)28(43)37-23(21-41)14-11-20-36-31(34)35/h4-6,12-13,21,23-26H,2-3,7-11,14-20,32-33H2,1H3,(H,37,43)(H,38,42)(H,39,45)(H,40,44)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175969 (Bz-N-Me-Nle-Lys-Arg-Arg-H | CHEMBL382143) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C32H55N11O5/c1-3-4-17-26(43(2)30(48)22-12-6-5-7-13-22)29(47)42-24(15-8-9-18-33)28(46)41-25(16-11-20-39-32(36)37)27(45)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175967 (Bz-Nle-Lys-N-Me-Arg-Arg-H | CHEMBL199726) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C32H55N11O5/c1-3-4-15-24(41-27(45)22-12-6-5-7-13-22)28(46)42-25(16-8-9-18-33)30(48)43(2)26(17-11-20-39-32(36)37)29(47)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,47)(H,41,45)(H,42,46)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175980 (Bz-Nle-Lys-Arg-D-Arg-H | CHEMBL199352) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175979 (Bz-Nle-Pro-Arg-Arg-H | CHEMBL382983) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C30H48N10O5/c1-2-3-13-23(39-25(42)20-10-5-4-6-11-20)28(45)40-18-9-15-24(40)27(44)38-22(14-8-17-36-30(33)34)26(43)37-21(19-41)12-7-16-35-29(31)32/h4-6,10-11,19,21-24H,2-3,7-9,12-18H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H4,31,32,35)(H4,33,34,36)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.14E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175965 (Bz-Nle-Lys-Pro-Arg-H | CHEMBL199987) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C30H48N8O5/c1-2-3-14-23(36-26(40)21-11-5-4-6-12-21)27(41)37-24(15-7-8-17-31)29(43)38-19-10-16-25(38)28(42)35-22(20-39)13-9-18-34-30(32)33/h4-6,11-12,20,22-25H,2-3,7-10,13-19,31H2,1H3,(H,35,42)(H,36,40)(H,37,41)(H4,32,33,34)/t22-,23-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175973 (Bz-Nle-N-Me-Lys-Arg-Arg-H | CHEMBL381639) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C32H55N11O5/c1-3-4-15-25(42-27(45)22-12-6-5-7-13-22)30(48)43(2)26(17-8-9-18-33)29(47)41-24(16-11-20-39-32(36)37)28(46)40-23(21-44)14-10-19-38-31(34)35/h5-7,12-13,21,23-26H,3-4,8-11,14-20,33H2,1-2H3,(H,40,46)(H,41,47)(H,42,45)(H4,34,35,38)(H4,36,37,39)/t23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175989 (Bz-Nle-Lys-D-Arg-Arg-H | CHEMBL371447) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C31H53N11O5/c1-2-3-14-23(40-26(44)21-11-5-4-6-12-21)28(46)41-24(15-7-8-17-32)29(47)42-25(16-10-19-38-31(35)36)27(45)39-22(20-43)13-9-18-37-30(33)34/h4-6,11-12,20,22-25H,2-3,7-10,13-19,32H2,1H3,(H,39,45)(H,40,44)(H,41,46)(H,42,47)(H4,33,34,37)(H4,35,36,38)/t22-,23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175972 (Bz-Nle-Lys-Arg-(p-Cl)Phe-H | CHEMBL199531) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#6]=O Show InChI InChI=1S/C34H49ClN8O5/c1-2-3-12-27(41-30(45)24-10-5-4-6-11-24)32(47)42-28(13-7-8-19-36)33(48)43-29(14-9-20-39-34(37)38)31(46)40-26(22-44)21-23-15-17-25(35)18-16-23/h4-6,10-11,15-18,22,26-29H,2-3,7-9,12-14,19-21,36H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175966 (Bz-Nle-Lys-Arg-Ala-H | CHEMBL199376) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6]=O Show InChI InChI=1S/C28H46N8O5/c1-3-4-13-21(34-24(38)20-11-6-5-7-12-20)26(40)35-22(14-8-9-16-29)27(41)36-23(15-10-17-32-28(30)31)25(39)33-19(2)18-37/h5-7,11-12,18-19,21-23H,3-4,8-10,13-17,29H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H4,30,31,32)/t19-,21-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175992 (Bz-Nle-Lys-Arg-homoPhe-H | CHEMBL370338) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#6]=O Show InChI InChI=1S/C35H52N8O5/c1-2-3-17-28(41-31(45)26-15-8-5-9-16-26)33(47)42-29(18-10-11-22-36)34(48)43-30(19-12-23-39-35(37)38)32(46)40-27(24-44)21-20-25-13-6-4-7-14-25/h4-9,13-16,24,27-30H,2-3,10-12,17-23,36H2,1H3,(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t27-,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Genome polyprotein (Dengue virus 2)	BDBM50175983 (Bz-Nle-Lys-Ala-Arg-H | CHEMBL372963) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O Show InChI InChI=1S/C28H46N8O5/c1-3-4-14-22(35-25(39)20-11-6-5-7-12-20)27(41)36-23(15-8-9-16-29)26(40)33-19(2)24(38)34-21(18-37)13-10-17-32-28(30)31/h5-7,11-12,18-19,21-23H,3-4,8-10,13-17,29H2,1-2H3,(H,33,40)(H,34,38)(H,35,39)(H,36,41)(H4,30,31,32)/t19-,21-,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibitory activity against dengue 2 NS3 protease fused via a linker to region of NS2B				Bioorg Med Chem Lett 16: 40-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.049 BindingDB Entry DOI: 10.7270/Q2J965X4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449620 (US10703733, Example 233 | US10988451, Example 233) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)C#N)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C37H44ClN5O5S/c1-24-5-3-7-33(47-2)30-11-8-28(30)20-43-22-37(14-4-6-26-15-29(38)10-12-31(26)37)23-48-34-13-9-27(16-32(34)43)35(44)40-49(46,21-24)41-36(45)42-18-25(17-39)19-42/h3,7,9-10,12-13,15-16,24-25,28,30,33H,4-6,8,11,14,18-23H2,1-2H3,(H,40,41,44,45,46)/b7-3+/t24-,28-,30+,33-,37-,49-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449685 (US10703733, Example 298 | US11643400, Example 298) Show SMILES CO[C@H]1CC[C@H](O)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r| Show InChI InChI=1S/C38H48ClN5O7S/c1-23-20-52(48,42-36(47)29-19-43(2)40-37(29)50-4)41-35(46)25-8-13-34-31(17-25)44(18-26-7-10-28(26)33(49-3)14-12-32(23)45)21-38(22-51-34)15-5-6-24-16-27(39)9-11-30(24)38/h8-9,11,13,16-17,19,23,26,28,32-33,45H,5-7,10,12,14-15,18,20-22H2,1-4H3,(H,41,42,46,47,48)/t23-,26+,28-,32+,33+,38+,52+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B357N
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449620 (US10703733, Example 233 | US10988451, Example 233) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)C#N)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C37H44ClN5O5S/c1-24-5-3-7-33(47-2)30-11-8-28(30)20-43-22-37(14-4-6-26-15-29(38)10-12-31(26)37)23-48-34-13-9-27(16-32(34)43)35(44)40-49(46,21-24)41-36(45)42-18-25(17-39)19-42/h3,7,9-10,12-13,15-16,24-25,28,30,33H,4-6,8,11,14,18-23H2,1-2H3,(H,40,41,44,45,46)/b7-3+/t24-,28-,30+,33-,37-,49-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449685 (US10703733, Example 298 | US11643400, Example 298) Show SMILES CO[C@H]1CC[C@H](O)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r| Show InChI InChI=1S/C38H48ClN5O7S/c1-23-20-52(48,42-36(47)29-19-43(2)40-37(29)50-4)41-35(46)25-8-13-34-31(17-25)44(18-26-7-10-28(26)33(49-3)14-12-32(23)45)21-38(22-51-34)15-5-6-24-16-27(39)9-11-30(24)38/h8-9,11,13,16-17,19,23,26,28,32-33,45H,5-7,10,12,14-15,18,20-22H2,1-4H3,(H,41,42,46,47,48)/t23-,26+,28-,32+,33+,38+,52+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM602144 (US11643400, Example 233) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)C#N)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@H](C)[C@H]1C)c3c2 |r,t:3| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B357N
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449686 (US10703733, Example 299 | US10988451, Example 298 ...) Show SMILES CO[C@H]1CC[C@H](OC)[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r| Show InChI InChI=1S/C39H50ClN5O7S/c1-24-21-53(48,43-37(47)30-20-44(2)41-38(30)51-5)42-36(46)26-9-13-35-32(18-26)45(19-27-8-11-29(27)34(50-4)15-14-33(24)49-3)22-39(23-52-35)16-6-7-25-17-28(40)10-12-31(25)39/h9-10,12-13,17-18,20,24,27,29,33-34H,6-8,11,14-16,19,21-23H2,1-5H3,(H,42,43,46,47,48)/t24-,27+,29-,33+,34+,39+,53+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449659 (US10703733, Example 272 | US10988451, Example 272 ...) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449627 (US10703733, Example 240 | US10988451, Example 240) Show SMILES CO[C@H]1CCC[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r| Show InChI InChI=1S/C38H48ClN5O6S/c1-24-7-5-9-33(48-3)29-13-10-27(29)19-44-22-38(16-6-8-25-17-28(39)12-14-31(25)38)23-50-34-15-11-26(18-32(34)44)35(45)41-51(47,21-24)42-36(46)30-20-43(2)40-37(30)49-4/h11-12,14-15,17-18,20,24,27,29,33H,5-10,13,16,19,21-23H2,1-4H3,(H,41,42,45,46,47)/t24-,27-,29+,33-,38-,51-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449659 (US10703733, Example 272 | US10988451, Example 272 ...) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449627 (US10703733, Example 240 | US10988451, Example 240) Show SMILES CO[C@H]1CCC[C@H](C)C[S@@](=O)(NC(=O)c2cn(C)nc2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r| Show InChI InChI=1S/C38H48ClN5O6S/c1-24-7-5-9-33(48-3)29-13-10-27(29)19-44-22-38(16-6-8-25-17-28(39)12-14-31(25)38)23-50-34-15-11-26(18-32(34)44)35(45)41-51(47,21-24)42-36(46)30-20-43(2)40-37(30)49-4/h11-12,14-15,17-18,20,24,27,29,33H,5-10,13,16,19,21-23H2,1-4H3,(H,41,42,45,46,47)/t24-,27-,29+,33-,38-,51-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM602151 (US11643400, Example 240) Show SMILES CO[C@H]1CCC[C@H](C)C[S@@](=O)(NC(=O)C2CN(C)N=C2OC)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,c:18| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B357N
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449659 (US10703733, Example 272 | US10988451, Example 272 ...) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC3(C2)CN(C)C(=O)O3)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H48ClN5O7S/c1-25-6-4-8-33(50-3)30-12-9-28(30)18-44-20-38(15-5-7-26-16-29(40)11-13-31(26)38)24-51-34-14-10-27(17-32(34)44)35(46)41-53(49,19-25)42-36(47)45-22-39(23-45)21-43(2)37(48)52-39/h4,8,10-11,13-14,16-17,25,28,30,33H,5-7,9,12,15,18-24H2,1-3H3,(H,41,42,46,47,49)/b8-4+/t25-,28-,30+,33-,38-,53-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B357N
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449730 (US10703733, Example 343 | US10988451, Example 343 ...) Show SMILES C[C@@H](CC=C)[C@@H](C)[S@@](=O)(NC(=O)C(F)(F)F)=NC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(C[C@@H]3CC[C@H]3[C@@H](OC(C)=O)C=C)c2c1 |r| Show InChI InChI=1S/C38H45ClF3N3O6S/c1-6-9-23(3)24(4)52(49,44-36(48)38(40,41)42)43-35(47)27-12-16-34-32(19-27)45(20-28-11-14-30(28)33(7-2)51-25(5)46)21-37(22-50-34)17-8-10-26-18-29(39)13-15-31(26)37/h6-7,12-13,15-16,18-19,23-24,28,30,33H,1-2,8-11,14,17,20-22H2,3-5H3,(H,43,44,47,48,49)/t23-,24+,28-,30+,33-,37-,52-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B357N
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449730 (US10703733, Example 343 | US10988451, Example 343 ...) Show SMILES C[C@@H](CC=C)[C@@H](C)[S@@](=O)(NC(=O)C(F)(F)F)=NC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(C[C@@H]3CC[C@H]3[C@@H](OC(C)=O)C=C)c2c1 |r| Show InChI InChI=1S/C38H45ClF3N3O6S/c1-6-9-23(3)24(4)52(49,44-36(48)38(40,41)42)43-35(47)27-12-16-34-32(19-27)45(20-28-11-14-30(28)33(7-2)51-25(5)46)21-37(22-50-34)17-8-10-26-18-29(39)13-15-31(26)37/h6-7,12-13,15-16,18-19,23-24,28,30,33H,1-2,8-11,14,17,20-22H2,3-5H3,(H,43,44,47,48,49)/t23-,24+,28-,30+,33-,37-,52-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449730 (US10703733, Example 343 | US10988451, Example 343 ...) Show SMILES C[C@@H](CC=C)[C@@H](C)[S@@](=O)(NC(=O)C(F)(F)F)=NC(=O)c1ccc2OC[C@]3(CCCc4cc(Cl)ccc34)CN(C[C@@H]3CC[C@H]3[C@@H](OC(C)=O)C=C)c2c1 |r| Show InChI InChI=1S/C38H45ClF3N3O6S/c1-6-9-23(3)24(4)52(49,44-36(48)38(40,41)42)43-35(47)27-12-16-34-32(19-27)45(20-28-11-14-30(28)33(7-2)51-25(5)46)21-37(22-50-34)17-8-10-26-18-29(39)13-15-31(26)37/h6-7,12-13,15-16,18-19,23-24,28,30,33H,1-2,8-11,14,17,20-22H2,3-5H3,(H,43,44,47,48,49)/t23-,24+,28-,30+,33-,37-,52-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449679 (US10703733, Example 292 | US11643400, Example 292) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)OC(=O)N(C)C)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H50ClN5O7S/c1-25-7-5-9-34(50-4)31-13-10-28(31)19-45-23-39(16-6-8-26-17-29(40)12-14-32(26)39)24-51-35-15-11-27(18-33(35)45)36(46)41-53(49,22-25)42-37(47)44-20-30(21-44)52-38(48)43(2)3/h5,9,11-12,14-15,17-18,25,28,30-31,34H,6-8,10,13,16,19-24H2,1-4H3,(H,41,42,46,47,49)/b9-5+/t25-,28-,31+,34-,39-,53-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449679 (US10703733, Example 292 | US11643400, Example 292) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N2CC(C2)OC(=O)N(C)C)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,t:3| Show InChI InChI=1S/C39H50ClN5O7S/c1-25-7-5-9-34(50-4)31-13-10-28(31)19-45-23-39(16-6-8-26-17-29(40)12-14-32(26)39)24-51-35-15-11-27(18-33(35)45)36(46)41-53(49,22-25)42-37(47)44-20-30(21-44)52-38(48)43(2)3/h5,9,11-12,14-15,17-18,25,28,30-31,34H,6-8,10,13,16,19-24H2,1-4H3,(H,41,42,46,47,49)/b9-5+/t25-,28-,31+,34-,39-,53-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B357N
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM493822 (US10988451, Example 292) Show SMILES C[C@H]1C\C=C\[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc34)COc3ccc(cc23)C(=O)N=[S@@](=O)(C1)NC(=O)N1CC(C1)OC(=O)N(C)C |r,t:3| Show InChI InChI=1S/C38H48ClN5O7S/c1-24-6-4-8-33(45)30-12-9-27(30)18-44-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-50-34-14-10-26(17-32(34)44)35(46)40-52(49,21-24)41-36(47)43-19-29(20-43)51-37(48)42(2)3/h4,8,10-11,13-14,16-17,24,27,29-30,33,45H,5-7,9,12,15,18-23H2,1-3H3,(H,40,41,46,47,49)/b8-4+/t24-,27-,30+,33-,38-,52-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 [51-76]/Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449559 (US10703733, Example 172 | US10988451, Example 172 ...) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@](C)(O)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:9.8,30.31,15.14,17.17,wD:2.1,47.49,44.47,6.6,9.10,17.18,t:3,(-.39,6.42,;1.1,6.03,;1.5,4.54,;.41,3.45,;-1.08,3.85,;-2.17,2.76,;-1.77,1.27,;-.28,1.67,;-2.86,.18,;-2.46,-1.3,;-2.06,-2.79,;-3.79,-2.07,;-5.13,-1.3,;-5.13,.24,;-6.46,-2.07,;-7.8,-1.3,;-9.28,-1.7,;-9.68,-.22,;-11.17,-.61,;-10.45,1.12,;-8.19,.18,;-.97,-1.7,;.12,-.61,;-.28,.87,;1.6,-1.01,;2,-2.5,;3.49,-2.9,;4.4,-1.88,;5.64,-2.89,;7.12,-2.6,;7.84,-1.24,;8.55,.13,;10.09,.2,;10.92,-1.1,;10.21,-2.46,;11.04,-3.76,;10.34,-5.13,;11.17,-6.42,;8.8,-5.2,;7.97,-3.9,;8.68,-2.54,;7.12,.17,;5.64,.57,;5.14,2.2,;3.53,2.62,;2.18,1.83,;1.78,3.32,;3.13,4.1,;4.22,-.4,;2.69,.08,)| Show InChI InChI=1S/C38H49ClN4O6S/c1-24-6-4-8-33(48-3)30-12-9-27(30)20-43-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-49-34-14-10-26(17-32(34)43)35(44)41-50(47,21-24)42-36(45)40-29-18-37(2,46)19-29/h4,8,10-11,13-14,16-17,24,27,29-30,33,46H,5-7,9,12,15,18-23H2,1-3H3,(H2,40,41,42,44,45,47)/b8-4+/t24-,27-,29-,30+,33-,37-,38-,50-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...				US Patent US10703733 (2020) BindingDB Entry DOI: 10.7270/Q2XK8JK4
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 [171-327] (Homo sapiens (Human))	BDBM449559 (US10703733, Example 172 | US10988451, Example 172 ...) Show SMILES CO[C@H]1\C=C\C[C@H](C)C[S@@](=O)(NC(=O)N[C@H]2C[C@](C)(O)C2)=NC(=O)c2ccc3OC[C@]4(CCCc5cc(Cl)ccc45)CN(C[C@@H]4CC[C@@H]14)c3c2 |r,wU:9.8,30.31,15.14,17.17,wD:2.1,47.49,44.47,6.6,9.10,17.18,t:3,(-.39,6.42,;1.1,6.03,;1.5,4.54,;.41,3.45,;-1.08,3.85,;-2.17,2.76,;-1.77,1.27,;-.28,1.67,;-2.86,.18,;-2.46,-1.3,;-2.06,-2.79,;-3.79,-2.07,;-5.13,-1.3,;-5.13,.24,;-6.46,-2.07,;-7.8,-1.3,;-9.28,-1.7,;-9.68,-.22,;-11.17,-.61,;-10.45,1.12,;-8.19,.18,;-.97,-1.7,;.12,-.61,;-.28,.87,;1.6,-1.01,;2,-2.5,;3.49,-2.9,;4.4,-1.88,;5.64,-2.89,;7.12,-2.6,;7.84,-1.24,;8.55,.13,;10.09,.2,;10.92,-1.1,;10.21,-2.46,;11.04,-3.76,;10.34,-5.13,;11.17,-6.42,;8.8,-5.2,;7.97,-3.9,;8.68,-2.54,;7.12,.17,;5.64,.57,;5.14,2.2,;3.53,2.62,;2.18,1.83,;1.78,3.32,;3.13,4.1,;4.22,-.4,;2.69,.08,)| Show InChI InChI=1S/C38H49ClN4O6S/c1-24-6-4-8-33(48-3)30-12-9-27(30)20-43-22-38(15-5-7-25-16-28(39)11-13-31(25)38)23-49-34-14-10-26(17-32(34)43)35(44)41-50(47,21-24)42-36(45)40-29-18-37(2,46)19-29/h4,8,10-11,13-14,16-17,24,27,29-30,33,46H,5-7,9,12,15,18-23H2,1-3H3,(H2,40,41,42,44,45,47)/b8-4+/t24-,27-,29-,30+,33-,37-,38-,50-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6× His-Mcl-1 (17...				US Patent US10988451 (2021) BindingDB Entry DOI: 10.7270/Q2M048KN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 8656 total )  |  Next  |  Last  >>

Jump to: