Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'gordon' and Initial = 'cp'   

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)	BDBM50158804 (AcAsp-D-Gla-Leu-Ile-Cha-Cys | CHEMBL179084) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(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/C35H58N6O12S/c1-6-19(4)29(34(51)39-24(15-21-10-8-7-9-11-21)31(48)40-26(17-54)35(52)53)41-33(50)23(14-18(2)3)38-30(47)22(12-13-27(43)44)37-32(49)25(16-28(45)46)36-20(5)42/h18-19,21-26,29,54H,6-17H2,1-5H3,(H,36,42)(H,37,49)(H,38,47)(H,39,51)(H,40,48)(H,41,50)(H,43,44)(H,45,46)(H,52,53)/t19-,22+,23+,24+,25+,26+,29+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50110121 (3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158796 (AcAsp-D-Glu-Leu-Glu-Cha-Cys | CHEMBL360025) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C35H56N6O14S/c1-17(2)14-23(39-30(48)22(11-13-27(45)46)38-33(51)28(36-19(4)42)18(3)34(52)53)31(49)37-21(10-12-26(43)44)29(47)40-24(15-20-8-6-5-7-9-20)32(50)41-25(16-56)35(54)55/h17-18,20-25,28,56H,5-16H2,1-4H3,(H,36,42)(H,37,49)(H,38,51)(H,39,48)(H,40,47)(H,41,50)(H,43,44)(H,45,46)(H,52,53)(H,54,55)/t18?,21-,22+,23-,24-,25-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158798 (AcAsp-Glu-Leu-Glu-Cha-Cys | CHEMBL178986) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C35H56N6O14S/c1-17(2)14-23(39-30(48)22(11-13-27(45)46)38-33(51)28(36-19(4)42)18(3)34(52)53)31(49)37-21(10-12-26(43)44)29(47)40-24(15-20-8-6-5-7-9-20)32(50)41-25(16-56)35(54)55/h17-18,20-25,28,56H,5-16H2,1-4H3,(H,36,42)(H,37,49)(H,38,51)(H,39,48)(H,40,47)(H,41,50)(H,43,44)(H,45,46)(H,52,53)(H,54,55)/t18?,21-,22-,23-,24-,25-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158793 (4-(2-{(S)-2-[(S)-2-((S)-4-Carboxy-2-isobutoxycarbo...) Show SMILES CC(C)COC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20-,21-,22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50084634 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C29H44N6O16S2/c1-13(36)30-18(11-23(43)44)28(49)33-15(4-7-21(39)40)25(46)34-17(9-10-53-2)27(48)32-14(3-6-20(37)38)24(45)31-16(5-8-22(41)42)26(47)35-19(12-52)29(50)51/h14-19,52H,3-12H2,1-2H3,(H,30,36)(H,31,45)(H,32,48)(H,33,49)(H,34,46)(H,35,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,50,51)/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50145828 (2-(4-{3-[(S)-1-Carboxy-2-(4-hydroxy-3,5-diiodo-phe...) Show SMILES OC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCCCOc1ccc(cc1)C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C27H23I2NO9/c28-20-12-15(13-21(29)24(20)32)14-22(26(35)36)30-27(37)39-11-3-10-38-17-8-6-16(7-9-17)23(31)18-4-1-2-5-19(18)25(33)34/h1-2,4-9,12-13,22,32H,3,10-11,14H2,(H,30,37)(H,33,34)(H,35,36)/t22-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50145844 (2-(4-{3-[(S)-1-tert-Butoxycarbonyl-2-(4-hydroxy-3,...) Show SMILES CC(C)(C)OC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCCCOc1ccc(cc1)C(=O)c1ccccc1C(=O)OC(C)(C)C Show InChI InChI=1S/C35H39I2NO9/c1-34(2,3)46-31(41)25-11-8-7-10-24(25)29(39)22-12-14-23(15-13-22)44-16-9-17-45-33(43)38-28(32(42)47-35(4,5)6)20-21-18-26(36)30(40)27(37)19-21/h7-8,10-15,18-19,28,40H,9,16-17,20H2,1-6H3,(H,38,43)/t28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50126661 ((2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-...) Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(c1)C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C24H18Cl2F3NO3/c25-18-9-10-19(20(26)13-18)22(31)30(14-16-7-4-8-17(11-16)24(27,28)29)21(23(32)33)12-15-5-2-1-3-6-15/h1-11,13,21H,12,14H2,(H,32,33)/t21-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50126669 ((2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-2-YLMETHYL)-(2...) Show SMILES OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(s1)-c1cc2ccccc2o1)C(=O)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C29H21Cl2NO4S/c30-20-10-12-22(23(31)16-20)28(33)32(24(29(34)35)14-18-6-2-1-3-7-18)17-21-11-13-27(37-21)26-15-19-8-4-5-9-25(19)36-26/h1-13,15-16,24H,14,17H2,(H,34,35)/t24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory constant against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50526860 (CHEMBL4554516) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H59N11O12/c1-18(2)11-22-34(57)44-23(12-21-9-7-6-8-10-21)32(55)41-15-25(35(58)47-27(17-51)37(60)48-26(16-50)36(59)43-22)46-31(54)20(5)42-33(56)24(13-28(40)52)45-38(61)30(19(3)4)49-29(53)14-39/h6-10,18-20,22-27,30,50-51H,11-17,39H2,1-5H3,(H2,40,52)(H,41,55)(H,42,56)(H,43,59)(H,44,57)(H,45,61)(H,46,54)(H,47,58)(H,48,60)(H,49,53)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50020375 (CHEMBL3289785) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H58N10O12S/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50526861 (CHEMBL2337554) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN8463 assessed as beta-lactamase activity incubated for 80 mins by spectrophotomet...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50020375 (CHEMBL3289785) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CSC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H58N10O12S/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN8463 assessed as beta-lactamase activity incubated for 80 mins by spectrophotomet...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50526861 (CHEMBL2337554) Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSC(=O)[C@H](CCSC)NC1=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC |r| Show InChI InChI=1S/C43H60N8O13S2/c1-5-22(2)34-41(62)45-28(15-16-65-4)43(64)66-21-32(40(61)47-30(19-33(55)56)37(58)46-29(38(59)50-34)18-24-9-7-6-8-10-24)49-42(63)35(23(3)53)51-39(60)31(20-52)48-36(57)27(44)17-25-11-13-26(54)14-12-25/h6-14,22-23,27-32,34-35,52-54H,5,15-21,44H2,1-4H3,(H,45,62)(H,46,58)(H,47,61)(H,48,57)(H,49,63)(H,50,59)(H,51,60)(H,55,56)/t22-,23+,27-,28-,29-,30-,31-,32-,34-,35-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus SA502A assessed as beta-lactamase activity incubated for 80 mins by spectrophotomet...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
					More data for this Ligand-Target Pair
Sensory histidine kinase DcuS (Staphylococcus aureus)	BDBM50526859 (CHEMBL4518791) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](COC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C |r| Show InChI InChI=1S/C38H58N10O13/c1-18(2)11-22-33(55)44-24(12-21-9-7-6-8-10-21)38(60)61-17-27(36(58)46-26(16-50)35(57)45-25(15-49)34(56)42-22)47-31(53)20(5)41-32(54)23(13-28(40)51)43-37(59)30(19(3)4)48-29(52)14-39/h6-10,18-20,22-27,30,49-50H,11-17,39H2,1-5H3,(H2,40,51)(H,41,54)(H,42,56)(H,43,59)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,52)/t20-,22-,23-,24-,25-,26-,27-,30-/m0/s1	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Veterans Affairs Eastern Colorado Health Care System Curated by ChEMBL					Assay Description Inhibition of AgrC in mid-exponential phase Staphylococcus aureus RN6390B assessed as beta-lactamase activity incubated for 80 mins by spectrophotome...				J Med Chem 63: 2705-2730 (2020) Article DOI: 10.1021/acs.jmedchem.9b00798 BindingDB Entry DOI: 10.7270/Q2CF9TJ1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158847 ((R)-1-{[(2S,4R)-1-[(S)-2-((S)-2-Acetylamino-2-cycl...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@@H]1C=C)C(O)=O)Oc1cc(nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H49N5O7/c1-5-28-22-41(28,40(51)52)45-37(48)33-20-29(53-34-21-32(26-14-8-6-9-15-26)43-31-19-13-12-18-30(31)34)23-46(33)39(50)35(24(2)3)44-38(49)36(42-25(4)47)27-16-10-7-11-17-27/h5-6,8-9,12-15,18-19,21,24,27-29,33,35-36H,1,7,10-11,16-17,20,22-23H2,2-4H3,(H,42,47)(H,44,49)(H,45,48)(H,51,52)/t28-,29+,33-,35-,36-,41+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158823 (AcAsp-Glu-Cha-Val-Prb-Cys | CHEMBL179963) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CS)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C40H58N6O13S/c1-22(2)34(39(56)46-19-26(59-20-25-12-8-5-9-13-25)17-31(46)38(55)44-30(21-60)40(57)58)45-37(54)28(16-24-10-6-4-7-11-24)43-35(52)27(14-15-32(48)49)42-36(53)29(18-33(50)51)41-23(3)47/h5,8-9,12-13,22,24,26-31,34,60H,4,6-7,10-11,14-21H2,1-3H3,(H,41,47)(H,42,53)(H,43,52)(H,44,55)(H,45,54)(H,48,49)(H,50,51)(H,57,58)/t26-,27+,28+,29+,30?,31+,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50158837 (4-(3'',5''-Dichloro-2''-cyano-biphenyl-3-yl)-2,4-d...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1C#N Show InChI InChI=1S/C17H9Cl2NO4/c18-11-5-12(13(8-20)14(19)6-11)9-2-1-3-10(4-9)15(21)7-16(22)17(23)24/h1-6H,7H2,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus polymerase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158813 (AcAsp-Glu-Cha-Val-Prb-Cpg | CHEMBL360983) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N1C[C@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C41H58N6O13/c1-23(2)34(39(57)47-21-27(60-22-26-12-8-5-9-13-26)19-31(47)38(56)46-41(16-17-41)40(58)59)45-37(55)29(18-25-10-6-4-7-11-25)44-35(53)28(14-15-32(49)50)43-36(54)30(20-33(51)52)42-24(3)48/h5,8-9,12-13,23,25,27-31,34H,4,6-7,10-11,14-22H2,1-3H3,(H,42,48)(H,43,54)(H,44,53)(H,45,55)(H,46,56)(H,49,50)(H,51,52)(H,58,59)/t27-,28-,29-,30-,31-,34-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370545 (CHEMBL1791289) Show SMILES CCCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CS)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C72H95N11O17S/c1-5-7-27-50(64(92)79-55(39-84)68(96)77-52(63(73)91)34-44-28-30-49(86)31-29-44)76-69(97)57-36-47-25-17-18-26-48(47)38-83(57)72(100)56(40-101)80-66(94)53(35-43-19-11-8-12-20-43)78-70(98)61(41(3)6-2)81-71(99)62(60(45-21-13-9-14-22-45)46-23-15-10-16-24-46)82-65(93)51(32-33-58(87)88)75-67(95)54(37-59(89)90)74-42(4)85/h9-10,13-18,21-26,28-31,41,43,50-57,60-62,84,86,101H,5-8,11-12,19-20,27,32-40H2,1-4H3,(H2,73,91)(H,74,85)(H,75,95)(H,76,97)(H,77,96)(H,78,98)(H,79,92)(H,80,94)(H,81,99)(H,82,93)(H,87,88)(H,89,90)/t41-,50+,51+,52+,53+,54+,55+,56+,57-,61+,62+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50158845 (2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-...) Show SMILES OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl Show InChI InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus polymerase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50158839 (4-(5''-Bromo-2''-cyano-biphenyl-3-yl)-2,4-dioxo-bu...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)-c1cc(Br)ccc1C#N Show InChI InChI=1S/C17H10BrNO4/c18-13-5-4-12(9-19)14(7-13)10-2-1-3-11(6-10)15(20)8-16(21)17(22)23/h1-7H,8H2,(H,22,23)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus polymerase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370548 (NOGALAMYCIN) Show SMILES CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC |r| Show InChI InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50158815 (4-(3''-Chloro-2''-cyano-biphenyl-3-yl)-2,4-dioxo-b...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)-c1cccc(Cl)c1C#N Show InChI InChI=1S/C17H10ClNO4/c18-14-6-2-5-12(13(14)9-19)10-3-1-4-11(7-10)15(20)8-16(21)17(22)23/h1-7H,8H2,(H,22,23)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus polymerase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158802 (Asp-Glu-Val-Val-Cys-Cys-L2-Lys-Gly-Ser-Leu-Val-Ile...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C92H165N25O26S3/c1-17-51(15)73(90(141)116-72(50(13)14)87(138)115-69(47(7)8)84(135)109-61(43-145)82(133)106-57(91(142)143)28-22-24-34-94)111-65(121)40-101-77(128)55(29-26-36-99-92(96)97)105-89(140)74(52(16)18-2)117-88(139)71(49(11)12)113-80(131)58(37-45(3)4)107-81(132)59(41-118)103-64(120)39-100-76(127)54(27-21-23-33-93)102-63(119)30-20-19-25-35-98-78(129)60(42-144)108-83(134)62(44-146)110-85(136)68(46(5)6)114-86(137)70(48(9)10)112-79(130)56(31-32-66(122)123)104-75(126)53(95)38-67(124)125/h45-62,68-74,118,144-146H,17-44,93-95H2,1-16H3,(H,98,129)(H,100,127)(H,101,128)(H,102,119)(H,103,120)(H,104,126)(H,105,140)(H,106,133)(H,107,132)(H,108,134)(H,109,135)(H,110,136)(H,111,121)(H,112,130)(H,113,131)(H,114,137)(H,115,138)(H,116,141)(H,117,139)(H,122,123)(H,124,125)(H,142,143)(H4,96,97,99)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-,72-,73-,74-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS4A binding region of NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Non-structural protein 4A (Hepatitis C virus)	BDBM50158808 (CHEMBL408166 | Cys-Val-Val-Ile-Val-Gly-Arg-Ile-Val...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C60H111N17O15S/c1-15-34(13)47(57(89)75-44(31(7)8)54(86)70-39(24-29(3)4)52(84)71-40(27-78)50(82)66-25-42(80)69-38(59(91)92)20-17-18-22-61)76-51(83)37(21-19-23-65-60(63)64)68-41(79)26-67-53(85)43(30(5)6)73-58(90)48(35(14)16-2)77-56(88)46(33(11)12)74-55(87)45(32(9)10)72-49(81)36(62)28-93/h29-40,43-48,78,93H,15-28,61-62H2,1-14H3,(H,66,82)(H,67,85)(H,68,79)(H,69,80)(H,70,86)(H,71,84)(H,72,81)(H,73,90)(H,74,87)(H,75,89)(H,76,83)(H,77,88)(H,91,92)(H4,63,64,65)/t34-,35-,36-,37-,38-,39-,40-,43-,44-,45-,46-,47-,48-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C NS4A protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158811 (CHEMBL428797 | Glu-Asp-Val-Val-Cys-Cys-L1-Lys-Gly-...) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCNC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CS)C(O)=O Show InChI InChI=1S/C97H173N25O27S3/c1-19-55(17)78(94(146)109-59(31-29-39-104-97(100)101)82(134)106-43-69(127)115-72(49(5)6)90(142)122-79(56(18)20-2)95(147)120-77(54(15)16)92(144)119-74(51(9)10)89(141)114-65(47-152)96(148)149)121-93(145)76(53(13)14)116-84(136)60(40-48(3)4)111-86(138)62(44-123)108-68(126)42-105-81(133)58(30-25-26-36-98)107-67(125)33-24-22-27-37-102-66(124)32-23-21-28-38-103-83(135)63(45-150)112-87(139)64(46-151)113-88(140)73(50(7)8)118-91(143)75(52(11)12)117-85(137)61(41-71(130)131)110-80(132)57(99)34-35-70(128)129/h48-65,72-79,123,150-152H,19-47,98-99H2,1-18H3,(H,102,124)(H,103,135)(H,105,133)(H,106,134)(H,107,125)(H,108,126)(H,109,146)(H,110,132)(H,111,138)(H,112,139)(H,113,140)(H,114,141)(H,115,127)(H,116,136)(H,117,137)(H,118,143)(H,119,144)(H,120,147)(H,121,145)(H,122,142)(H,128,129)(H,130,131)(H,148,149)(H4,100,101,104)/t55-,56-,57-,58-,59+,60+,61-,62+,63-,64-,65+,72+,73-,74+,75-,76+,77+,78+,79+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS4A binding region of NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Non-structural protein 4A (Hepatitis C virus)	BDBM50158824 (CHEMBL438893 | Lys-Gly-Ser-Leu-Val-Ile-Arg-Gly-Val...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C66H123N19O16S/c1-15-38(13)52(84-62(97)50(36(9)10)81-56(91)43(28-33(3)4)78-57(92)44(31-86)75-46(87)29-73-54(89)40(69)22-17-19-25-67)63(98)76-41(24-21-27-72-66(70)71)55(90)74-30-47(88)80-48(34(5)6)60(95)85-53(39(14)16-2)64(99)83-51(37(11)12)61(96)82-49(35(7)8)59(94)79-45(32-102)58(93)77-42(65(100)101)23-18-20-26-68/h33-45,48-53,86,102H,15-32,67-69H2,1-14H3,(H,73,89)(H,74,90)(H,75,87)(H,76,98)(H,77,93)(H,78,92)(H,79,94)(H,80,88)(H,81,91)(H,82,96)(H,83,99)(H,84,97)(H,85,95)(H,100,101)(H4,70,71,72)/t38-,39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS4A active site				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Dynamin-2 (Homo sapiens (Human))	BDBM50316543 (CHEMBL1094197 | N,N'-(Propane-1,3-diyl)bis(6,7-dih...) Show SMILES Oc1cc2cc(C(=O)NCCCNC(=O)c3cc4cc(O)c(O)cc4oc3=N)c(=N)oc2cc1O Show InChI InChI=1S/C23H20N4O8/c24-20-12(4-10-6-14(28)16(30)8-18(10)34-20)22(32)26-2-1-3-27-23(33)13-5-11-7-15(29)17(31)9-19(11)35-21(13)25/h4-9,24-25,28-31H,1-3H2,(H,26,32)(H,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay				J Med Chem 53: 4094-102 (2010) Article DOI: 10.1021/jm100119c BindingDB Entry DOI: 10.7270/Q2PZ5903
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50158822 (4-[2-(5-Bromo-2-cyano-phenoxy)-phenyl]-2,4-dioxo-b...) Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1Oc1cc(Br)ccc1C#N Show InChI InChI=1S/C17H10BrNO5/c18-11-6-5-10(9-19)16(7-11)24-15-4-2-1-3-12(15)13(20)8-14(21)17(22)23/h1-7H,8H2,(H,22,23)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus polymerase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Dynamin-2 (Homo sapiens (Human))	BDBM50316542 (CHEMBL1098764 | N,N'-(Propane-1,3-diyl)bis(7,8-dih...) Show SMILES Oc1ccc2cc(C(=O)NCCCNC(=O)c3cc4ccc(O)c(O)c4oc3=N)c(=N)oc2c1O Show InChI InChI=1S/C23H20N4O8/c24-20-12(8-10-2-4-14(28)16(30)18(10)34-20)22(32)26-6-1-7-27-23(33)13-9-11-3-5-15(29)17(31)19(11)35-21(13)25/h2-5,8-9,24-25,28-31H,1,6-7H2,(H,26,32)(H,27,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay				J Med Chem 53: 4094-102 (2010) Article DOI: 10.1021/jm100119c BindingDB Entry DOI: 10.7270/Q2PZ5903
					More data for this Ligand-Target Pair
Dynamin-2 (Homo sapiens (Human))	BDBM50316539 (CHEMBL1094850 | N,N'-(Ethane-1,2-diyl)bis(7,8-dihy...) Show SMILES Oc1ccc2cc(C(=O)NCCNC(=O)c3cc4ccc(O)c(O)c4oc3=N)c(=N)oc2c1O Show InChI InChI=1S/C22H18N4O8/c23-19-11(7-9-1-3-13(27)15(29)17(9)33-19)21(31)25-5-6-26-22(32)12-8-10-2-4-14(28)16(30)18(10)34-20(12)24/h1-4,7-8,23-24,27-30H,5-6H2,(H,25,31)(H,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay				J Med Chem 53: 4094-102 (2010) Article DOI: 10.1021/jm100119c BindingDB Entry DOI: 10.7270/Q2PZ5903
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370549 (CHEMBL609647) Show SMILES Nc1nc(=N)nc(N)c2n(cnc12)[C@H]1OC(COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C11H18N7O13P3/c12-8-4-5(9(13)17-11(14)16-8)18(2-15-4)10-7(20)6(19)3(29-10)1-28-33(24,25)31-34(26,27)30-32(21,22)23/h2-3,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,21,22,23)(H5,12,13,14,16,17)/p-1/t3?,6-,7-,10-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158820 (CHEMBL414693 | Glu-Asp-Val-Val-Cys-Cys-L1-Cys-Val-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CCCCCNC(=O)CCCCCNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O Show InChI InChI=1S/C97H173N25O27S3/c1-19-55(17)78(94(146)120-73(50(7)8)89(141)111-60(40-48(3)4)84(136)112-62(44-123)81(133)105-42-69(127)108-59(96(148)149)30-25-26-36-98)121-83(135)58(31-29-39-104-97(100)101)107-68(126)43-106-88(140)72(49(5)6)117-95(147)79(56(18)20-2)122-93(145)77(54(15)16)119-92(144)76(53(13)14)116-87(139)64(46-151)109-67(125)33-24-22-27-37-102-66(124)32-23-21-28-38-103-82(134)63(45-150)113-86(138)65(47-152)114-90(142)74(51(9)10)118-91(143)75(52(11)12)115-85(137)61(41-71(130)131)110-80(132)57(99)34-35-70(128)129/h48-65,72-79,123,150-152H,19-47,98-99H2,1-18H3,(H,102,124)(H,103,134)(H,105,133)(H,106,140)(H,107,126)(H,108,127)(H,109,125)(H,110,132)(H,111,141)(H,112,136)(H,113,138)(H,114,142)(H,115,137)(H,116,139)(H,117,147)(H,118,143)(H,119,144)(H,120,146)(H,121,135)(H,122,145)(H,128,129)(H,130,131)(H,148,149)(H4,100,101,104)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS4A binding region of NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Non-structural protein 4A (Hepatitis C virus)	BDBM50158836 (CHEMBL361380 | Ser-Leu-Val-Ile-Arg-Gly-Val-Ile-Val) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C44H82N12O11/c1-13-25(11)34(55-40(63)32(23(7)8)53-38(61)29(18-21(3)4)51-36(59)27(45)20-57)41(64)50-28(16-15-17-48-44(46)47)37(60)49-19-30(58)52-31(22(5)6)39(62)56-35(26(12)14-2)42(65)54-33(24(9)10)43(66)67/h21-29,31-35,57H,13-20,45H2,1-12H3,(H,49,60)(H,50,64)(H,51,59)(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,66,67)(H4,46,47,48)/t25-,26-,27-,28-,29-,31-,32-,33-,34-,35-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS4A active site				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158795 (CHEMBL298210 | Hexanedioic acid bis-{[4-(1H-benzoi...) Show SMILES O=C(CCCCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C32H28N6O2/c39-29(33-23-17-13-21(14-18-23)31-35-25-7-1-2-8-26(25)36-31)11-5-6-12-30(40)34-24-19-15-22(16-20-24)32-37-27-9-3-4-10-28(27)38-32/h1-4,7-10,13-20H,5-6,11-12H2,(H,33,39)(H,34,40)(H,35,36)(H,37,38)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM79181 (10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...) Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase; range 0.6-0.7				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370552 (EPIRUBICIN | Ellence) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13+,15-,17-,22+,27-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM30406 (CHEMBL176058 | benzo[1,2,4]thiadiazine-1,1-dioxide...) Show SMILES CC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C21H21N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus polymerase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158821 (Boc-Ile-Leu-L-(difluoro)aminobutyric aid | CHEMBL1...) Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C22H37F2N3O7/c1-8-12(4)16(27-21(33)34-22(5,6)7)19(30)26-14(9-11(2)3)18(29)25-13(10-15(23)24)17(28)20(31)32/h11-16H,8-10H2,1-7H3,(H,25,29)(H,26,30)(H,27,33)(H,31,32)/t12?,13?,14-,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50001839 (CHEMBL428647 | PACLITAXEL | taxol) Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158809 (AcGlu-Asp-Val-Val-Leu-Cys-Iqc-Nle-Thr-TyrNH2 | CHE...) Show SMILES CCCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C59H87N11O17S/c1-9-10-15-38(51(79)66-43(28-71)55(83)64-41(50(60)78)25-34-16-18-37(73)19-17-34)63-56(84)45-26-35-13-11-12-14-36(35)27-70(45)59(87)44(29-88)67-54(82)42(24-30(2)3)65-57(85)48(31(4)5)69-58(86)49(32(6)7)68-53(81)40(21-23-47(76)77)62-52(80)39(61-33(8)72)20-22-46(74)75/h11-14,16-19,30-32,38-45,48-49,71,73,88H,9-10,15,20-29H2,1-8H3,(H2,60,78)(H,61,72)(H,62,80)(H,63,84)(H,64,83)(H,65,85)(H,66,79)(H,67,82)(H,68,81)(H,69,86)(H,74,75)(H,76,77)/t38-,39-,40-,41-,42-,43-,44-,45+,48-,49-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370547 (CHEMBL1791288) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C67H97N11O17S/c1-6-38(4)56(76-66(94)57(54(42-24-15-9-16-25-42)43-26-17-10-18-27-43)77-59(87)44(29-30-51(80)81)70-62(90)47(34-52(82)83)69-39(5)79)65(93)73-46(33-41-22-13-8-14-23-41)61(89)74-49(36-96)67(95)78-31-19-28-50(78)64(92)72-45(32-40-20-11-7-12-21-40)60(88)71-48(35-53(84)85)63(91)75-55(37(2)3)58(68)86/h9-10,15-18,24-27,37-38,40-41,44-50,54-57,96H,6-8,11-14,19-23,28-36H2,1-5H3,(H2,68,86)(H,69,79)(H,70,90)(H,71,88)(H,72,92)(H,73,93)(H,74,89)(H,75,91)(H,76,94)(H,77,87)(H,80,81)(H,82,83)(H,84,85)/t38-,44+,45?,46+,47+,48+,49+,50-,55+,56+,57+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370553 (CHEMBL610048) Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)OC([C@H]1O)n1cnc2NC(=O)NNC(=O)c12 |r| Show InChI InChI=1S/C10H16N5O15P3/c16-5-3(1-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(6(5)17)15-2-11-7-4(15)8(18)13-14-10(19)12-7/h2-3,5-6,9,16-17H,1H2,(H,13,18)(H,23,24)(H,25,26)(H2,12,14,19)(H2,20,21,22)/t3-,5-,6-,9?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370546 (CHEMBL607669) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nnc2cc(Cl)c(Cl)cc12 |r| Show InChI InChI=1S/C11H11Cl2N3O4/c12-4-1-6-7(2-5(4)13)16(15-14-6)11-10(19)9(18)8(3-17)20-11/h1-2,8-11,17-19H,3H2/t8-,9-,10-,11-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus helicase				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50158792 (CHEMBL175623 | Cbz-Ile-Leu-L-(difluoro)aminobutyri...) Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15?,17?,18-,20-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50370550 (CHEMBL1791287) Show SMILES CCCCC(NC(=O)[C@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(N)=O Show InChI InChI=1S/C64H93N11O17S/c1-7-9-26-41(56(84)69-45(33-50(81)82)60(88)72-52(35(3)4)55(65)83)68-61(89)47-27-19-30-75(47)64(92)46(34-93)71-58(86)43(31-38-20-13-10-14-21-38)70-62(90)53(36(5)8-2)73-63(91)54(51(39-22-15-11-16-23-39)40-24-17-12-18-25-40)74-57(85)42(28-29-48(77)78)67-59(87)44(32-49(79)80)66-37(6)76/h11-12,15-18,22-25,35-36,38,41-47,51-54,93H,7-10,13-14,19-21,26-34H2,1-6H3,(H2,65,83)(H,66,76)(H,67,87)(H,68,89)(H,69,84)(H,70,90)(H,71,86)(H,72,88)(H,73,91)(H,74,85)(H,77,78)(H,79,80)(H,81,82)/t36-,41?,42+,43+,44+,45+,46+,47-,52+,53+,54+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibitory concentration against hepatitis C virus NS3 protease				J Med Chem 48: 1-20 (2005) Article DOI: 10.1021/jm0400101 BindingDB Entry DOI: 10.7270/Q2XP75Q1
					More data for this Ligand-Target Pair
Dynamin-2 (Homo sapiens (Human))	BDBM50423883 (CHEMBL2312430) Show SMILES CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12 Show InChI InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins				J Med Chem 56: 46-59 (2013) Article DOI: 10.1021/jm300844m BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
					More data for this Ligand-Target Pair

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