Compile Data Set for Download or QSAR

Found 5060 hits with Last Name = 'neyts' and Initial = 'j'   

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 (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a NS3 protease				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50339127 ((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity				Antimicrob Agents Chemother 52: 1302-17 (2008) Article DOI: 10.1128/AAC.01324-07 BindingDB Entry DOI: 10.7270/Q21836R5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50258529 (CHEMBL449158 | bryostatin 1) Show SMILES CCC\C=C\C=C\C(=O)O[C@H]1\C(C[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C\C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O)=C\C(=O)OC |r,t:43| Show InChI InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535777 (CHEMBL4565484) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC)cccc1OC)=C\C(=O)OC |r| Show InChI InChI=1S/C41H54O14/c1-7-8-9-10-11-15-34(43)54-38-27(22-36(45)50-6)20-28-23-29(24-42)53-35(44)18-19-51-31-17-16-26(37-32(48-4)13-12-14-33(37)49-5)21-30(31)39(46)52-25-40(2,3)41(38,47)55-28/h12-14,16-17,21-22,28-29,38,42,47H,7-11,15,18-20,23-25H2,1-6H3/b27-22+/t28-,29+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535778 (CHEMBL4533216) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(OC(C)C)cccc1OC(C)C)=C\C(=O)OC |r| Show InChI InChI=1S/C45H62O14/c1-9-10-11-12-13-17-38(47)58-42-31(24-40(49)52-8)22-32-25-33(26-46)57-39(48)20-21-53-35-19-18-30(23-34(35)43(50)54-27-44(6,7)45(42,51)59-32)41-36(55-28(2)3)15-14-16-37(41)56-29(4)5/h14-16,18-19,23-24,28-29,32-33,42,46,51H,9-13,17,20-22,25-27H2,1-8H3/b31-24+/t32-,33+,42-,45+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458174 (CHEMBL4212267) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50339126 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-sec-buty...) Show SMILES CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t39-,40+,41-,42+,43-,44-,45-,46-,48-,49-,50-,51-,52+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity				Antimicrob Agents Chemother 52: 1302-17 (2008) Article DOI: 10.1128/AAC.01324-07 BindingDB Entry DOI: 10.7270/Q21836R5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535789 (CHEMBL4574406) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC(C)C)cc1)=C\C(=O)OC |r| Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-12-36(44)54-39-30(23-38(46)49-6)21-32-24-33(25-43)53-37(45)19-20-50-35-18-15-29(28-13-16-31(17-14-28)52-27(2)3)22-34(35)40(47)51-26-41(4,5)42(39,48)55-32/h13-18,22-23,27,32-33,39,43,48H,7-12,19-21,24-26H2,1-6H3/b30-23+/t32-,33+,39-,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535791 (CHEMBL4593581) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1c(C)noc1C)=C\C(=O)OC |r| Show InChI InChI=1S/C38H51NO13/c1-7-8-9-10-11-12-31(41)50-35-26(19-33(43)46-6)17-27-20-28(21-40)49-32(42)15-16-47-30-14-13-25(34-23(2)39-52-24(34)3)18-29(30)36(44)48-22-37(4,5)38(35,45)51-27/h13-14,18-19,27-28,35,40,45H,7-12,15-17,20-22H2,1-6H3/b26-19+/t27-,28+,35-,38+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535790 (CHEMBL4536091) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC)=C\C(=O)OC |r| Show InChI InChI=1S/C41H52O14/c1-6-7-8-9-10-11-34(43)54-37-29(22-36(45)49-4)20-30-23-31(24-42)53-35(44)18-19-51-33-17-16-28(26-12-14-27(15-13-26)38(46)50-5)21-32(33)39(47)52-25-40(2,3)41(37,48)55-30/h12-17,21-22,30-31,37,42,48H,6-11,18-20,23-25H2,1-5H3/b29-22+/t30-,31+,37-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535785 (CHEMBL4526756) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC(C)C)=C\C(=O)OC |r| Show InChI InChI=1S/C42H56O13/c1-7-8-9-10-11-16-36(44)54-39-29(23-38(46)49-6)21-30-24-31(25-43)53-37(45)19-20-50-34-18-17-28(32-14-12-13-15-35(32)52-27(2)3)22-33(34)40(47)51-26-41(4,5)42(39,48)55-30/h12-15,17-18,22-23,27,30-31,39,43,48H,7-11,16,19-21,24-26H2,1-6H3/b29-23+/t30-,31+,39-,42+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535782 (CHEMBL4576842) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc(c1)S(=O)(=O)N(CC)CC)=C\C(=O)OC |r| Show InChI InChI=1S/C43H59NO14S/c1-7-10-11-12-13-17-37(46)57-40-31(25-39(48)53-6)22-32-26-33(27-45)56-38(47)20-21-54-36-19-18-30(24-35(36)41(49)55-28-42(4,5)43(40,50)58-32)29-15-14-16-34(23-29)59(51,52)44(8-2)9-3/h14-16,18-19,23-25,32-33,40,45,50H,7-13,17,20-22,26-28H2,1-6H3/b31-25+/t32-,33+,40-,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535775 (CHEMBL4525186) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(OC)cc1)=C\C(=O)OC |r| Show InChI InChI=1S/C40H52O13/c1-6-7-8-9-10-11-34(42)52-37-28(22-36(44)48-5)20-30-23-31(24-41)51-35(43)18-19-49-33-17-14-27(26-12-15-29(47-4)16-13-26)21-32(33)38(45)50-25-39(2,3)40(37,46)53-30/h12-17,21-22,30-31,37,41,46H,6-11,18-20,23-25H2,1-5H3/b28-22+/t30-,31+,37-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535772 (CHEMBL4574986) Show SMILES CCCCCCCCc1ccc2OCCC(=O)O[C@@H](CO)C[C@@H]3C\C(=C/C(=O)OC)[C@H](OC(=O)CCCCCCC)[C@@](O)(O3)C(C)(C)COC(=O)c2c1 |r| Show InChI InChI=1S/C41H62O12/c1-6-8-10-12-14-15-17-29-19-20-34-33(23-29)39(46)50-28-40(3,4)41(47)38(52-35(43)18-16-13-11-9-7-2)30(25-37(45)48-5)24-31(53-41)26-32(27-42)51-36(44)21-22-49-34/h19-20,23,25,31-32,38,42,47H,6-18,21-22,24,26-28H2,1-5H3/b30-25+/t31-,32+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535776 (CHEMBL4550131) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1OC)=C\C(=O)OC |r| Show InChI InChI=1S/C40H52O13/c1-6-7-8-9-10-15-34(42)52-37-27(22-36(44)48-5)20-28-23-29(24-41)51-35(43)18-19-49-33-17-16-26(30-13-11-12-14-32(30)47-4)21-31(33)38(45)50-25-39(2,3)40(37,46)53-28/h11-14,16-17,21-22,28-29,37,41,46H,6-10,15,18-20,23-25H2,1-5H3/b27-22+/t28-,29+,37-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458174 (CHEMBL4212267) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535786 (CHEMBL4542079) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)S(=O)(=O)N(CC)CC)=C\C(=O)OC |r| Show InChI InChI=1S/C43H59NO14S/c1-7-10-11-12-13-14-37(46)57-40-31(25-39(48)53-6)23-32-26-33(27-45)56-38(47)21-22-54-36-20-17-30(24-35(36)41(49)55-28-42(4,5)43(40,50)58-32)29-15-18-34(19-16-29)59(51,52)44(8-2)9-3/h15-20,24-25,32-33,40,45,50H,7-14,21-23,26-28H2,1-6H3/b31-25+/t32-,33+,40-,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535780 (CHEMBL4560593) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)OC(C)C)=C\C(=O)OC |r| Show InChI InChI=1S/C43H56O14/c1-7-8-9-10-11-12-36(45)56-39-31(23-38(47)51-6)21-32-24-33(25-44)55-37(46)19-20-52-35-18-17-30(28-13-15-29(16-14-28)40(48)54-27(2)3)22-34(35)41(49)53-26-42(4,5)43(39,50)57-32/h13-18,22-23,27,32-33,39,44,50H,7-12,19-21,24-26H2,1-6H3/b31-23+/t32-,33+,39-,43+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535781 (CHEMBL4535813) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc(cc1)C(=O)N(CC)CC)=C\C(=O)OC |r| Show InChI InChI=1S/C44H59NO13/c1-7-10-11-12-13-14-37(47)57-40-32(25-39(49)53-6)23-33-26-34(27-46)56-38(48)21-22-54-36-20-19-31(29-15-17-30(18-16-29)41(50)45(8-2)9-3)24-35(36)42(51)55-28-43(4,5)44(40,52)58-33/h15-20,24-25,33-34,40,46,52H,7-14,21-23,26-28H2,1-6H3/b32-25+/t33-,34+,40-,44+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50366760 (CHEMBL2369589) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C36H58N6O14S/c1-6-18(4)28(33(50)40-23(13-20-10-8-7-9-11-20)29(46)41-26(16-57)36(55)56)42-32(49)22(12-17(2)3)38-30(47)24(14-21(34(51)52)35(53)54)39-31(48)25(15-27(44)45)37-19(5)43/h17-18,20-26,28,57H,6-16H2,1-5H3,(H,37,43)(H,38,47)(H,39,48)(H,40,50)(H,41,46)(H,42,49)(H,44,45)(H,51,52)(H,53,54)(H,55,56)/t18-,22-,23-,24+,25-,26-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535788 (CHEMBL4564420) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccccc1)=C\C(=O)OC |r| Show InChI InChI=1S/C39H50O12/c1-5-6-7-8-12-15-33(41)50-36-28(22-35(43)46-4)20-29-23-30(24-40)49-34(42)18-19-47-32-17-16-27(26-13-10-9-11-14-26)21-31(32)37(44)48-25-38(2,3)39(36,45)51-29/h9-11,13-14,16-17,21-22,29-30,36,40,45H,5-8,12,15,18-20,23-25H2,1-4H3/b28-22+/t29-,30+,36-,39+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	9.79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin-associted cis-trans propyl isomerase activity				Antimicrob Agents Chemother 52: 1302-17 (2008) Article DOI: 10.1128/AAC.01324-07 BindingDB Entry DOI: 10.7270/Q21836R5
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535779 (CHEMBL4519769) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1cccc2[nH]ccc12)=C\C(=O)OC |r| Show InChI InChI=1S/C41H51NO12/c1-5-6-7-8-9-13-35(44)53-38-27(22-37(46)49-4)20-28-23-29(24-43)52-36(45)17-19-50-34-15-14-26(30-11-10-12-33-31(30)16-18-42-33)21-32(34)39(47)51-25-40(2,3)41(38,48)54-28/h10-12,14-16,18,21-22,28-29,38,42-43,48H,5-9,13,17,19-20,23-25H2,1-4H3/b27-22+/t28-,29+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535771 (CHEMBL4541641) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C33H46O12/c1-5-6-7-8-9-14-27(35)44-30-22(18-29(37)40-4)17-23-19-24(20-34)43-28(36)15-16-41-26-13-11-10-12-25(26)31(38)42-21-32(2,3)33(30,39)45-23/h10-13,18,23-24,30,34,39H,5-9,14-17,19-21H2,1-4H3/b22-18+/t23-,24+,30-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535774 (CHEMBL4559327) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(Br)cc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C33H45BrO12/c1-5-6-7-8-9-10-27(36)45-30-21(16-29(38)41-4)15-23-18-24(19-35)44-28(37)13-14-42-26-12-11-22(34)17-25(26)31(39)43-20-32(2,3)33(30,40)46-23/h11-12,16-17,23-24,30,35,40H,5-10,13-15,18-20H2,1-4H3/b21-16+/t23-,24+,30-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458174 (CHEMBL4212267) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C42H50ClF4N7O8S/c1-40(2,3)31(22-54-33(56)20-41(4,5)21-34(54)57)49-39(60)51-36-38(59)53(30(35(43)50-36)18-11-24-9-7-6-8-10-24)23-32(55)48-29-19-26(44)14-17-28(29)37(58)52-63(61,62)27-15-12-25(13-16-27)42(45,46)47/h12-17,19,24,31H,6-11,18,20-23H2,1-5H3,(H,48,55)(H,52,58)(H2,49,50,51,60)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458171 (CHEMBL4208860) Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458175 (CHEMBL3797556) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)NC2(CC(C2)OCc2ccccc2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |(14.39,-12.96,;13.32,-12.34,;13.32,-13.57,;12.26,-12.95,;13.33,-10.8,;12,-10.02,;10.93,-10.64,;12,-8.48,;10.67,-7.71,;9.34,-8.48,;8,-7.7,;6.94,-8.32,;8.01,-6.16,;6.68,-5.39,;5.34,-6.15,;4.01,-5.38,;2.67,-6.14,;1.34,-5.36,;1.35,-3.82,;2.69,-3.06,;4.01,-3.84,;9.34,-5.4,;9.34,-3.85,;10.68,-3.08,;11.74,-3.7,;10.67,-1.54,;12.01,-.77,;13.1,.22,;12.01,1.31,;10.92,.22,;12,2.85,;10.66,3.61,;10.66,5.15,;9.33,5.92,;9.32,7.46,;10.66,8.23,;11.99,7.47,;11.99,5.93,;13.34,-1.54,;13.35,-2.77,;14.68,-.77,;16.01,-1.54,;16.01,-2.77,;14.95,-2.15,;17.35,-.76,;17.35,.78,;18.68,1.55,;20.01,.78,;20.01,-.76,;18.68,-1.53,;21.35,1.55,;21.35,2.78,;22.41,.93,;22.41,2.16,;10.67,-6.17,;11.74,-5.55,)| Show InChI InChI=1S/C38H46ClF3N6O7S/c1-36(2,3)46-35(52)44-32-33(50)48(29(31(39)43-32)19-14-24-10-6-4-7-11-24)22-30(49)45-37(20-27(21-37)55-23-25-12-8-5-9-13-25)34(51)47-56(53,54)28-17-15-26(16-18-28)38(40,41)42/h5,8-9,12-13,15-18,24,27H,4,6-7,10-11,14,19-23H2,1-3H3,(H,45,49)(H,47,51)(H2,43,44,46,52)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458177 (CHEMBL3797877) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(O)=O)c1=O Show InChI InChI=1S/C26H34ClN5O5/c1-26(2,3)31-25(37)30-22-23(34)32(15-20(33)28-18-12-8-7-11-17(18)24(35)36)19(21(27)29-22)14-13-16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,28,33)(H,35,36)(H2,29,30,31,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458179 (CHEMBL3798865) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)-c2cncnc2)c1=O Show InChI InChI=1S/C37H40ClF3N8O6S/c1-36(2,3)47-35(53)46-32-34(52)49(29(31(38)45-32)16-9-22-7-5-4-6-8-22)20-30(50)44-28-17-23(24-18-42-21-43-19-24)10-15-27(28)33(51)48-56(54,55)26-13-11-25(12-14-26)37(39,40)41/h10-15,17-19,21-22H,4-9,16,20H2,1-3H3,(H,44,50)(H,48,51)(H2,45,46,47,53)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458176 (CHEMBL3798789) Show SMILES CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2ccccc2S(=O)(=O)NC(=O)c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C36H32ClF3N6O6S/c1-35(2,3)44-34(50)43-31-33(49)46(27(30(37)42-31)19-23-11-8-10-21-9-4-5-12-25(21)23)20-29(47)41-26-13-6-7-14-28(26)53(51,52)45-32(48)22-15-17-24(18-16-22)36(38,39)40/h4-18H,19-20H2,1-3H3,(H,41,47)(H,45,48)(H2,42,43,44,50)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458171 (CHEMBL4208860) Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535787 (CHEMBL4550478) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](CO)OC(=O)CCOc3ccc(cc3C(=O)OCC(C)(C)[C@]1(O)O2)-c1ccc2[nH]ccc2c1)=C\C(=O)OC |r| Show InChI InChI=1S/C41H51NO12/c1-5-6-7-8-9-10-35(44)53-38-29(22-37(46)49-4)20-30-23-31(24-43)52-36(45)16-18-50-34-14-12-27(26-11-13-33-28(19-26)15-17-42-33)21-32(34)39(47)51-25-40(2,3)41(38,48)54-30/h11-15,17,19,21-22,30-31,38,42-43,48H,5-10,16,18,20,23-25H2,1-4H3/b29-22+/t30-,31+,38-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458172 (CHEMBL4213784) Show SMILES CC(C)(C)N1CCN(C1=O)c1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C34H32ClF3N6O6S/c1-33(2,3)44-18-17-42(32(44)48)29-31(47)43(26(28(35)40-29)19-21-9-5-4-6-10-21)20-27(45)39-25-12-8-7-11-24(25)30(46)41-51(49,50)23-15-13-22(14-16-23)34(36,37)38/h4-16H,17-20H2,1-3H3,(H,39,45)(H,41,46)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535773 (CHEMBL4575057) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](COC(=O)NCc3ccccc3)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C41H53NO13/c1-5-6-7-8-12-19-34(43)54-37-29(23-36(45)49-4)22-30-24-31(26-51-39(47)42-25-28-15-10-9-11-16-28)53-35(44)20-21-50-33-18-14-13-17-32(33)38(46)52-27-40(2,3)41(37,48)55-30/h9-11,13-18,23,30-31,37,48H,5-8,12,19-22,24-27H2,1-4H3,(H,42,47)/b29-23+/t30-,31+,37-,41+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535784 (CHEMBL4212128) Show SMILES [H][C@@]12C\C(=C/C(=O)OC)[C@H](OC(=O)CCCCCCC)[C@@](O)(O1)C(C)(C)COC(=O)c1ccccc1OCCC(=O)O[C@@H](COC)C2 |r| Show InChI InChI=1S/C34H48O12/c1-6-7-8-9-10-15-28(35)45-31-23(19-30(37)41-5)18-24-20-25(21-40-4)44-29(36)16-17-42-27-14-12-11-13-26(27)32(38)43-22-33(2,3)34(31,39)46-24/h11-14,19,24-25,31,39H,6-10,15-18,20-22H2,1-5H3/b23-19+/t24-,25+,31-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Protein kinase C delta type (Homo sapiens (Human))	BDBM50535783 (CHEMBL4482943) Show SMILES CCCCCCCC(=O)O[C@H]1\C(C[C@H]2C[C@H](COC(C)=O)OC(=O)CCOc3ccccc3C(=O)OCC(C)(C)[C@]1(O)O2)=C\C(=O)OC |r| Show InChI InChI=1S/C35H48O13/c1-6-7-8-9-10-15-29(37)47-32-24(19-31(39)42-5)18-25-20-26(21-44-23(2)36)46-30(38)16-17-43-28-14-12-11-13-27(28)33(40)45-22-34(3,4)35(32,41)48-25/h11-14,19,25-26,32,41H,6-10,15-18,20-22H2,1-5H3/b24-19+/t25-,26+,32-,35+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of [3H]PDBu binding to recombinant full length human PKCdelta expressed in baculovirus expression system incubated for 5 mins by scintilla...				J Nat Prod 79: 680-4 (2016) Article DOI: 10.1021/acs.jnatprod.5b01017 BindingDB Entry DOI: 10.7270/Q2BK1GXV
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458178 (CHEMBL4204522) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1NC(=O)Cn1c(Cc2ccccc2)c(Cl)nc(NNC(=O)c2ccccc2)c1=O Show InChI InChI=1S/C34H26ClF3N6O6S/c35-29-27(19-21-9-3-1-4-10-21)44(33(48)30(40-29)41-42-31(46)22-11-5-2-6-12-22)20-28(45)39-26-14-8-7-13-25(26)32(47)43-51(49,50)24-17-15-23(16-18-24)34(36,37)38/h1-18H,19-20H2,(H,39,45)(H,40,41)(H,42,46)(H,43,47)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem		n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50097721 (CHEMBL1879790 | EN300-11843) Show SMILES CN1CCN(CC1)c1ccccc1N Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496902 (CVD-0018409 | PF-07321332 | US11351149, Example 13...) Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50492527 (CHEMBL2407818) Show SMILES Cc1nc2c(NCc3cccc(c3)S(C)(=O)=O)nccn2c1-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
BioFocus Curated by ChEMBL					Assay Description Inhibition of recombinant PI4K3beta (unknown origin) using PI:PS as substrate after 75 to 90 mins by scintillation counting analysis in presence of [...				ACS Med Chem Lett 4: 585-9 (2013) Article DOI: 10.1021/ml400095m BindingDB Entry DOI: 10.7270/Q2N58Q8J
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM46060 (2-(2,5-dimethylphenyl)-6-fluoranyl-1,2-benzothiazo...) Show SMILES Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O Show InChI InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM228619 (US9345789, Z-DEVD-FMK) Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM228619 (US9345789, Z-DEVD-FMK) Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF Show InChI InChI=1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)					Assay Description Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...				bioRxiv 2020: (2020) Article DOI: 10.1101/2020.12.16.422677 BindingDB Entry DOI: 10.7270/Q26M39VR
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496478 (LOR-NOR-30067bb9-11) Show SMILES Brc1cccc2C(=O)C(=O)N(Cc3cccc(c3)C#N)c12 Show InChI InChI=1S/C16H9BrN2O2/c17-13-6-2-5-12-14(13)19(16(21)15(12)20)9-11-4-1-3-10(7-11)8-18/h1-7H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Israel Institution of Biological Research					Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi...				bioRxiv 2021: (2021) BindingDB Entry DOI: 10.7270/Q2MS3WV7
					More data for this Ligand-Target Pair

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