Compile Data Set for Download or QSAR

Found 13195 hits with Last Name = 'ata' and Initial = 'a'   

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
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50016326 (2-{4-[(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin...) Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12 Show InChI InChI=1S/C21H23N7O5/c1-10-12(9-25-18-16(10)17(22)27-21(23)28-18)8-24-13-4-2-11(3-5-13)19(31)26-14(20(32)33)6-7-15(29)30/h2-5,9,14,24H,6-8H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM66082 ((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023681 (2-{4-[(2,4-Diamino-5,7-dimethyl-pyrido[2,3-d]pyrim...) Show SMILES Cc1nc2nc(N)nc(N)c2c(C)c1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25N7O5/c1-10-14(11(2)26-19-17(10)18(23)28-22(24)29-19)9-25-13-5-3-12(4-6-13)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,15,25H,7-9H2,1-2H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023680 (2-{4-[(2,4-Diamino-7-phenyl-pyrido[2,3-d]pyrimidin...) Show SMILES Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)c(nc2n1)-c1ccccc1 Show InChI InChI=1S/C26H25N7O5/c27-22-18-12-16(21(14-4-2-1-3-5-14)31-23(18)33-26(28)32-22)13-29-17-8-6-15(7-9-17)24(36)30-19(25(37)38)10-11-20(34)35/h1-9,12,19,29H,10-11,13H2,(H,30,36)(H,34,35)(H,37,38)(H4,27,28,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023682 (2-{4-[(2,4-Diamino-5-methyl-7-phenyl-pyrido[2,3-d]...) Show SMILES Cc1c(CNc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(nc2nc(N)nc(N)c12)-c1ccccc1 Show InChI InChI=1S/C27H27N7O5/c1-14-18(22(15-5-3-2-4-6-15)32-24-21(14)23(28)33-27(29)34-24)13-30-17-9-7-16(8-10-17)25(37)31-19(26(38)39)11-12-20(35)36/h2-10,19,30H,11-13H2,1H3,(H,31,37)(H,35,36)(H,38,39)(H4,28,29,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023683 (2-{4-[(2,4-Diamino-7-methyl-pyrido[2,3-d]pyrimidin...) Show SMILES Cc1nc2nc(N)nc(N)c2cc1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C21H23N7O5/c1-10-12(8-14-17(22)27-21(23)28-18(14)25-10)9-24-13-4-2-11(3-5-13)19(31)26-15(20(32)33)6-7-16(29)30/h2-5,8,15,24H,6-7,9H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM50023684 (2-{4-[(2,4-Diamino-7-methyl-5-phenyl-pyrido[2,3-d]...) Show SMILES Cc1nc2nc(N)nc(N)c2c(-c2ccccc2)c1CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C27H27N7O5/c1-14-18(21(15-5-3-2-4-6-15)22-23(28)33-27(29)34-24(22)31-14)13-30-17-9-7-16(8-10-17)25(37)32-19(26(38)39)11-12-20(35)36/h2-10,19,30H,11-13H2,1H3,(H,32,37)(H,35,36)(H,38,39)(H4,28,29,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cornell University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of L-1210 cells				J Med Chem 31: 1209-15 (1988) BindingDB Entry DOI: 10.7270/Q2930S6N
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403653 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(C)CC1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C |r| Show InChI InChI=1S/C38H52F2N4O7/c1-12-15-16-22-20-37(22,10)51-34(47)43-30(35(4,5)6)32(45)44-21-27(24(13-2)28(44)33(46)50-36(7,8)9)49-31-29(38(39,40)14-3)41-25-18-17-23(48-11)19-26(25)42-31/h12,14,17-19,22,24,27-28,30H,1,3,13,15-16,20-21H2,2,4-11H3,(H,43,47)/t22?,24-,27+,28+,30-,37?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403592 (Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C39H52F2N6O9S/c1-6-23-29-19-47(30(23)33(48)45-39(18-24(39)32(40)41)36(50)46-57(52,53)22-13-14-22)35(49)31(38(2,3)4)44-37(51)56-28-16-20(28)10-8-7-9-11-26-34(55-29)43-27-17-21(54-5)12-15-25(27)42-26/h12,15,17,20,22-24,28-32H,6-11,13-14,16,18-19H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t20-,23-,24+,28-,29+,30+,31-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403609 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...) Show SMILES COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C |r| Show InChI InChI=1S/C38H50F2N6O9S/c1-19-28-18-46(29(19)32(47)44-38(17-23(38)31(39)40)35(49)45-56(51,52)22-12-13-22)34(48)30(37(2,3)4)43-36(50)55-27-15-20(27)9-7-6-8-10-25-33(54-28)42-26-16-21(53-5)11-14-24(26)41-25/h11,14,16,19-20,22-23,27-31H,6-10,12-13,15,17-18H2,1-5H3,(H,43,50)(H,44,47)(H,45,49)/t19-,20-,23+,27-,28+,29+,30-,38-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403677 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-chloro-N-[...) Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(Cl)ccc2nc1C(F)(F)C=C |r| Show InChI InChI=1S/C26H32ClF2N3O5/c1-9-26(28,29)20-21(31-17-12-15(27)10-11-16(17)30-20)35-18-13-32(23(34)37-25(6,7)8)19(14(18)2)22(33)36-24(3,4)5/h9-12,14,18-19H,1,13H2,2-8H3/t14-,18+,19+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403676 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-cyano-N-[(...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(cc3nc1O2)C#N)C(C)(C)C |r| Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h10-11,15,21-23,26-28,30-31H,6-9,12-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22-,23+,26-,27+,28+,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403608 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C34H47ClN4O7/c1-10-11-12-13-20-16-24(20)45-32(42)38-27(33(3,4)5)30(40)39-18-25(19(2)26(39)31(41)46-34(6,7)8)44-29-28(35)36-22-15-14-21(43-9)17-23(22)37-29/h10,14-15,17,19-20,24-27H,1,11-13,16,18H2,2-9H3,(H,38,42)/t19-,20-,24-,25+,26+,27-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403653 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC1(C)CC1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C |r| Show InChI InChI=1S/C38H52F2N4O7/c1-12-15-16-22-20-37(22,10)51-34(47)43-30(35(4,5)6)32(45)44-21-27(24(13-2)28(44)33(46)50-36(7,8)9)49-31-29(38(39,40)14-3)41-25-18-17-23(48-11)19-26(25)42-31/h12,14,17-19,22,24,27-28,30H,1,3,13,15-16,20-21H2,2,4-11H3,(H,43,47)/t22?,24-,27+,28+,30-,37?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403617 ((3aR,7S10S,1S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3CCC[C@H]3CCCC=C)C(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C36H51ClN4O7/c1-10-11-12-14-22-15-13-16-26(22)47-34(44)40-29(35(3,4)5)32(42)41-20-27(21(2)28(41)33(43)48-36(6,7)8)46-31-30(37)38-24-18-17-23(45-9)19-25(24)39-31/h10,17-19,21-22,26-29H,1,11-16,20H2,2-9H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403618 ((3aR,7S,10S,11S,12R,24aR)-7-tert-butyl-N-[(1R,2R)-...) Show SMILES COc1ccc2nc3CCCCC[C@@H]4CCC[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(C)(C)C |r| Show InChI InChI=1S/C40H54F2N6O9S/c1-21-30-20-48(31(21)34(49)46-40(19-25(40)33(41)42)37(51)47-58(53,54)24-15-16-24)36(50)32(39(2,3)4)45-38(52)57-29-13-9-11-22(29)10-7-6-8-12-27-35(56-30)44-28-18-23(55-5)14-17-26(28)43-27/h14,17-18,21-22,24-25,29-33H,6-13,15-16,19-20H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22-,25+,29-,30+,31+,32-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403628 ((1aR,5S,8S,9S,10R,22aR)—N-[(1R,2R)-2-(difluor...) Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCCC=C)C3(C)CCCC3)nc2c1 |r| Show InChI InChI=1S/C36H49ClN4O7/c1-8-9-10-13-22-18-26(22)47-34(44)40-29(36(6)16-11-12-17-36)32(42)41-20-27(21(2)28(41)33(43)48-35(3,4)5)46-31-30(37)38-24-15-14-23(45-7)19-25(24)39-31/h8,14-15,19,21-22,26-29H,1,9-13,16-18,20H2,2-7H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403634 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc(Cl)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC3(C)CC3CCCC=C)C(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C35H49ClN4O7/c1-11-12-13-14-21-18-35(21,9)47-32(43)39-27(33(3,4)5)30(41)40-19-25(20(2)26(40)31(42)46-34(6,7)8)45-29-28(36)37-23-16-15-22(44-10)17-24(23)38-29/h11,15-17,20-21,25-27H,1,12-14,18-19H2,2-10H3,(H,39,43)/t20-,21?,25+,26+,27-,35?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403636 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C |r| Show InChI InChI=1S/C36H48F2N4O7/c1-11-13-14-21-17-25(21)48-33(45)41-29(34(4,5)6)31(43)42-19-26(20(3)27(42)32(44)49-35(7,8)9)47-30-28(36(37,38)12-2)39-23-16-15-22(46-10)18-24(23)40-30/h11-12,15-16,18,20-21,25-27,29H,1-2,13-14,17,19H2,3-10H3,(H,41,45)/t20-,21-,25-,26+,27+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403643 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C38H48F4N6O8S/c1-5-21-26-18-48(27(21)31(49)46-37(17-22(37)30(39)40)34(51)47-57(53,54)20-13-14-20)33(50)29(36(2,3)4)45-35(52)56-25-16-19(25)10-8-9-15-38(41,42)28-32(55-26)44-24-12-7-6-11-23(24)43-28/h6-7,11-12,19-22,25-27,29-30H,5,8-10,13-18H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/t19-,21-,22+,25-,26+,27+,29-,37-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403591 (Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl |r| Show InChI InChI=1S/C25H34ClN3O6/c1-9-15-18(33-21-20(26)27-16-11-10-14(32-8)12-17(16)28-21)13-29(23(31)35-25(5,6)7)19(15)22(30)34-24(2,3)4/h10-12,15,18-19H,9,13H2,1-8H3/t15-,18+,19+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403661 ((4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)-...) Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[C@@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(O)=O)C(C)(C)C |r,wU:35.40,37.43,19.19,wD:29.30,24.46,13.12,(5.02,-14.55,;3.68,-13.78,;2.35,-14.55,;1.02,-13.78,;-.32,-14.55,;-.32,-16.09,;-1.65,-16.86,;-1.65,-18.4,;-3.98,-19.71,;-3.98,-21.25,;-5.31,-22.02,;-5.31,-23.56,;-6.64,-24.33,;-6.64,-25.87,;-7.98,-26.64,;-7.98,-28.18,;-6.64,-28.95,;-6.64,-27.41,;-5.31,-28.18,;-5.31,-26.64,;-3.98,-25.87,;-2.64,-26.64,;-2.64,-28.18,;-1.31,-25.87,;.02,-26.64,;1.36,-25.87,;2.69,-26.64,;1.36,-24.33,;.11,-23.42,;.59,-21.96,;-.32,-20.71,;-.32,-19.17,;1.02,-18.4,;1.02,-16.86,;2.35,-16.09,;2.13,-21.96,;3.03,-20.71,;2.6,-23.42,;3.94,-24.19,;5.27,-23.42,;3.94,-25.73,;.02,-28.18,;1.36,-28.95,;-1.31,-28.95,;.02,-29.72,)| Show InChI InChI=1S/C34H46N4O7/c1-18-27-17-38(28(18)32(40)41)31(39)29(34(2,3)4)37-33(42)45-26-15-19-13-20(14-19)22(26)9-7-6-8-10-24-30(44-27)36-25-16-21(43-5)11-12-23(25)35-24/h11-12,16,18-20,22,26-29H,6-10,13-15,17H2,1-5H3,(H,37,42)(H,40,41)/t18-,19?,20?,22+,26+,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403664 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(F)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C39H51F3N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(40)41)35(51)47-58(53,54)38(42)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403665 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(Cl)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C39H51ClF2N6O9S/c1-6-22-28-19-48(29(22)32(49)46-39(18-23(39)31(41)42)35(51)47-58(53,54)38(40)14-15-38)34(50)30(37(2,3)4)45-36(52)57-27-16-20(27)10-8-7-9-11-25-33(56-28)44-26-17-21(55-5)12-13-24(26)43-25/h12-13,17,20,22-23,27-31H,6-11,14-16,18-19H2,1-5H3,(H,45,52)(H,46,49)(H,47,51)/t20-,22-,23+,27-,28+,29+,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403666 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)OC3(C)CC3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C |r| Show InChI InChI=1S/C37H50F2N4O7/c1-12-14-15-22-19-36(22,10)50-33(46)42-29(34(4,5)6)31(44)43-20-26(21(3)27(43)32(45)49-35(7,8)9)48-30-28(37(38,39)13-2)40-24-17-16-23(47-11)18-25(24)41-30/h12-13,16-18,21-22,26-27,29H,1-2,14-15,19-20H2,3-11H3,(H,42,46)/t21-,22?,26+,27+,29-,36?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403671 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES C[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]3C[C@@H]3[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C41H52F4N6O8S/c1-20-28-19-51(29(20)33(52)49-40(18-24(40)32(42)43)36(54)50-60(56,57)39(5)14-15-39)35(53)31(38(2,3)4)48-37(55)59-27-17-21-16-23(21)22(27)10-8-9-13-41(44,45)30-34(58-28)47-26-12-7-6-11-25(26)46-30/h6-7,11-12,20-24,27-29,31-32H,8-10,13-19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t20-,21+,22-,23+,24+,27-,28+,29+,31-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403674 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-14-(difluorom...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)c1nc3ccc(OC(F)F)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C40H50F6N6O9S/c1-6-21-26-18-52(27(21)31(53)50-39(17-22(39)30(41)42)34(55)51-62(57,58)38(5)13-14-38)33(54)29(37(2,3)4)49-36(56)61-25-15-19(25)9-7-8-12-40(45,46)28-32(60-26)48-24-16-20(59-35(43)44)10-11-23(24)47-28/h10-11,16,19,21-22,25-27,29-30,35H,6-9,12-15,17-18H2,1-5H3,(H,49,56)(H,50,53)(H,51,55)/t19-,21-,22+,25-,26+,27+,29-,39-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403678 ((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-N-[(1R,2R...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CC\C=C\C(F)(F)c1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r,t:42| Show InChI InChI=1S/C40H50F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h9,11-13,17,20,22-23,26-28,30-31H,7-8,10,14-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/b13-9+/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403623 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc(C=C)c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@H]3C[C@H]4C[C@H]4[C@@H]3CCCC=C)C(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C39H54N4O7/c1-11-13-14-15-25-26-18-23(26)19-30(25)49-37(46)42-33(38(4,5)6)35(44)43-21-31(22(3)32(43)36(45)50-39(7,8)9)48-34-27(12-2)40-28-17-16-24(47-10)20-29(28)41-34/h11-12,16-17,20,22-23,25-26,30-33H,1-2,13-15,18-19,21H2,3-10H3,(H,42,46)/t22-,23-,25+,26-,30+,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403652 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C |r| Show InChI InChI=1S/C39H52F2N4O7/c1-11-13-14-24-25-17-22(25)18-28(24)51-36(48)44-32(37(4,5)6)34(46)45-20-29(21(3)30(45)35(47)52-38(7,8)9)50-33-31(39(40,41)12-2)42-26-16-15-23(49-10)19-27(26)43-33/h11-12,15-16,19,21-22,24-25,28-30,32H,1-2,13-14,17-18,20H2,3-10H3,(H,44,48)/t21-,22+,24-,25+,28-,29+,30+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50295693 (CHEMBL557629) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)CN[C@@H](Cc1ccc(O)cc1)C(O)=O |r,wU:27.28,36.36,71.73,148.153,55.55,60.134,8.12,wD:112.115,4.4,97.100,93.131,82.84,16.24,134.137,44.44,64.69,156.161,120.123,(5.27,-20.83,;6.6,-20.06,;6.6,-18.52,;5.27,-17.75,;5.27,-16.21,;3.93,-15.44,;2.6,-16.21,;2.6,-17.75,;1.27,-15.44,;1.27,-13.9,;2.6,-13.13,;3.93,-13.9,;2.6,-11.59,;-.07,-16.21,;-1.4,-15.44,;-1.4,-13.9,;-2.73,-16.21,;-2.73,-17.75,;-1.4,-18.52,;-.07,-17.74,;1.27,-18.51,;1.27,-20.05,;-.08,-20.82,;-1.4,-20.05,;-4.07,-15.44,;-5.4,-16.21,;-5.4,-17.75,;-6.74,-15.44,;-8.07,-16.21,;-6.74,-13.9,;-8.07,-13.13,;-8.07,-11.59,;-9.4,-13.9,;6.6,-15.44,;6.6,-13.9,;7.93,-16.21,;9.27,-15.44,;9.27,-13.9,;10.6,-13.13,;10.6,-11.59,;11.94,-13.9,;10.6,-16.21,;10.6,-17.75,;11.94,-15.44,;13.27,-16.21,;13.27,-17.75,;11.94,-18.52,;11.94,-20.06,;10.6,-20.83,;10.6,-22.37,;9.27,-23.14,;11.94,-23.14,;14.6,-15.44,;14.6,-13.9,;15.94,-16.21,;17.27,-15.44,;17.27,-13.9,;15.94,-13.13,;15.71,-11.29,;14.63,-10.2,;15.04,-8.71,;16.59,-8.74,;17.38,-7.41,;18.92,-7.43,;16.62,-6.07,;15.22,-6.04,;14.79,-4.38,;16.14,-3.62,;17.27,-4.66,;18.6,-3.89,;18.6,-2.35,;19.94,-4.66,;19.94,-6.2,;21.27,-6.97,;21.27,-8.51,;19.94,-9.28,;19.94,-10.82,;18.6,-11.59,;21.27,-11.59,;21.27,-3.89,;22.61,-4.66,;22.61,-6.2,;23.94,-3.89,;23.94,-2.35,;22.61,-1.58,;22.61,-.04,;21.28,.73,;19.95,-.04,;19.95,-1.59,;21.27,-2.35,;25.27,-4.66,;26.61,-3.89,;26.61,-2.35,;27.94,-4.66,;27.94,-6.2,;26.61,-6.97,;25.27,-6.2,;26.61,-8.51,;27.94,-9.28,;27.94,-10.82,;29.27,-11.59,;29.27,-13.13,;30.61,-13.9,;31.94,-13.13,;30.61,-15.44,;25.27,-9.28,;25.27,-10.82,;23.94,-11.59,;26.61,-11.59,;26.61,-13.13,;25.27,-13.9,;23.94,-13.13,;25.27,-15.44,;26.61,-16.21,;26.61,-17.75,;27.94,-18.52,;25.27,-18.52,;23.94,-16.21,;22.61,-15.44,;22.61,-13.9,;21.27,-16.21,;21.27,-17.75,;19.94,-18.52,;19.94,-20.06,;18.6,-20.83,;19.94,-15.44,;18.6,-16.21,;18.6,-17.75,;29.27,-3.89,;30.61,-4.66,;29.27,-2.35,;13.71,-7.94,;13.71,-6.4,;12.38,-8.71,;11.04,-7.94,;11.05,-6.4,;9.71,-5.63,;8.29,-6.29,;7.28,-5.11,;8.05,-3.78,;7.58,-2.33,;8.6,-1.2,;10.11,-1.52,;10.57,-2.98,;9.54,-4.11,;9.71,-8.71,;9.71,-10.25,;8.38,-7.93,;7.04,-8.7,;7.04,-10.24,;5.71,-11.01,;5.7,-12.55,;7.19,-12.94,;5.3,-14.03,;5.71,-7.93,;4.38,-8.7,;3.04,-7.93,;3.04,-6.39,;1.71,-5.62,;1.72,-4.07,;.39,-3.3,;-.95,-4.07,;-2.28,-3.3,;-.94,-5.62,;.39,-6.38,;1.71,-8.7,;.38,-7.92,;1.71,-10.24,)| Show InChI InChI=1S/C109H162N30O25S4/c1-58(2)45-75-91(148)123-55-86(142)125-70(27-17-39-118-107(112)113)95(152)138-89(60(5)6)104(161)135-78(48-62-23-13-10-14-24-62)98(155)129-74(29-19-41-120-109(116)117)105(162)139-42-20-30-84(139)103(160)137-83(102(159)133-79(50-64-53-121-69-26-16-15-25-67(64)69)96(153)124-65(33-36-85(111)141)54-122-81(106(163)164)49-63-31-34-66(140)35-32-63)57-168-167-56-82(101(158)128-73(38-44-166-8)93(150)131-75)136-92(149)71(28-18-40-119-108(114)115)126-97(154)76(46-59(3)4)132-94(151)72(37-43-165-7)127-100(157)80(52-88(145)146)134-99(156)77(47-61-21-11-9-12-22-61)130-90(147)68(110)51-87(143)144/h9-16,21-26,31-32,34-35,53,58-60,65,68,70-84,89,121-122,140H,17-20,27-30,33,36-52,54-57,110H2,1-8H3,(H2,111,141)(H,123,148)(H,124,153)(H,125,142)(H,126,154)(H,127,157)(H,128,158)(H,129,155)(H,130,147)(H,131,150)(H,132,151)(H,133,159)(H,134,156)(H,135,161)(H,136,149)(H,137,160)(H,138,152)(H,143,144)(H,145,146)(H,163,164)(H4,112,113,118)(H4,114,115,119)(H4,116,117,120)/t65-,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...				Bioorg Med Chem Lett 19: 2835-9 (2009) Article DOI: 10.1016/j.bmcl.2009.03.102 BindingDB Entry DOI: 10.7270/Q2R49QS7
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403603 ((1R,4S,4aR,8S,11S,12S,13R,25aR)-8-tert-butyl-N-[(1...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl |r,TLB:20:21:24.23:26,THB:28:27:24.23:26| Show InChI InChI=1S/C39H55ClN4O7/c1-10-12-13-14-26-22-15-16-23(19-22)31(26)50-37(47)43-32(38(3,4)5)35(45)44-21-29(25(11-2)30(44)36(46)51-39(6,7)8)49-34-33(40)41-27-18-17-24(48-9)20-28(27)42-34/h10,17-18,20,22-23,25-26,29-32H,1,11-16,19,21H2,2-9H3,(H,43,47)/t22-,23+,25+,26-,29-,30-,31-,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403607 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C |r| Show InChI InChI=1S/C28H37F2N3O6/c1-10-17-20(15-33(25(35)39-27(6,7)8)21(17)24(34)38-26(3,4)5)37-23-22(28(29,30)11-2)31-18-13-12-16(36-9)14-19(18)32-23/h11-14,17,20-21H,2,10,15H2,1,3-9H3/t17-,20+,21+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403635 ((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc3CCCCC[C@H]4C[C@]4(C)OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C |r| Show InChI InChI=1S/C40H54F2N6O9S/c1-21-28-20-48(29(21)32(49)46-40(19-24(40)31(41)42)35(51)47-58(53,54)38(5)15-16-38)34(50)30(37(2,3)4)45-36(52)57-39(6)18-22(39)11-9-8-10-12-26-33(56-28)44-27-17-23(55-7)13-14-25(27)43-26/h13-14,17,21-22,24,28-31H,8-12,15-16,18-20H2,1-7H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22+,24+,28+,29+,30-,39+,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403639 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C |r| Show InChI InChI=1S/C42H56F2N6O9S/c1-21-31-20-50(32(21)35(51)48-42(19-26(42)34(43)44)38(53)49-60(55,56)41(5)14-15-41)37(52)33(40(2,3)4)47-39(54)59-30-17-22-16-25(22)24(30)10-8-7-9-11-28-36(58-31)46-29-18-23(57-6)12-13-27(29)45-28/h12-13,18,21-22,24-26,30-34H,7-11,14-17,19-20H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,24-,25+,26+,30-,31+,32+,33-,42-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403649 ((1aS,2aR,6S,9S,10 S,11R,23aR,23bS)-6-tert-butyl-N-...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C |r| Show InChI InChI=1S/C40H54F2N4O7/c1-11-14-15-25-26-18-22(26)19-29(25)52-37(49)45-33(38(4,5)6)35(47)46-21-30(24(12-2)31(46)36(48)53-39(7,8)9)51-34-32(40(41,42)13-3)43-27-17-16-23(50-10)20-28(27)44-34/h11,13,16-17,20,22,24-26,29-31,33H,1,3,12,14-15,18-19,21H2,2,4-10H3,(H,45,49)/t22-,24+,25+,26-,29+,30-,31-,33+/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403650 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-1-...) Show SMILES CCC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1C(F)(F)C=C |r| Show InChI InChI=1S/C38H52F2N4O7/c1-11-14-16-22-19-27(22)50-35(47)43-31(36(4,5)6)33(45)44-21-28(24(15-12-2)29(44)34(46)51-37(7,8)9)49-32-30(38(39,40)13-3)41-25-18-17-23(48-10)20-26(25)42-32/h11,13,17-18,20,22,24,27-29,31H,1,3,12,14-16,19,21H2,2,4-10H3,(H,43,47)/t22-,24-,27-,28+,29+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403592 (Preparation of (1aR,5S,8S,9S,10R,22aR)-5-tert-buty...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C39H52F2N6O9S/c1-6-23-29-19-47(30(23)33(48)45-39(18-24(39)32(40)41)36(50)46-57(52,53)22-13-14-22)35(49)31(38(2,3)4)44-37(51)56-28-16-20(28)10-8-7-9-11-26-34(55-29)43-27-17-21(54-5)12-15-25(27)42-26/h12,15,17,20,22-24,28-32H,6-11,13-14,16,18-19H2,1-5H3,(H,44,51)(H,45,48)(H,46,50)/t20-,23-,24+,28-,29+,30+,31-,39-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403595 (Preparation of (3aR,7S,10S,11S,12R,24aR)-7-tert-bu...) Show SMILES CC[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]1CCC[C@H]1CCCC=C)C(C)(C)C)Oc1nc2cc(OC)ccc2nc1Cl |r| Show InChI InChI=1S/C37H53ClN4O7/c1-10-12-13-15-22-16-14-17-27(22)48-35(45)41-30(36(3,4)5)33(43)42-21-28(24(11-2)29(42)34(44)49-37(6,7)8)47-32-31(38)39-25-19-18-23(46-9)20-26(25)40-32/h10,18-20,22,24,27-30H,1,11-17,21H2,2-9H3,(H,41,45)/t22-,24-,27-,28+,29+,30-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403656 ((4aR,8S,11 S,12S,13R,25aR)-8-tert-butyl-N-[(1R,2R)...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1CC1)C(=O)[C@@H](NC(=O)O[C@@H]1CCC=C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r,c:38| Show InChI InChI=1S/C42H56F2N6O9S/c1-6-26-32-22-50(33(26)36(51)48-42(21-27(42)35(43)44)39(53)49-60(55,56)25-17-18-25)38(52)34(41(2,3)4)47-40(54)59-31-15-11-10-13-23(31)12-8-7-9-14-29-37(58-32)46-30-20-24(57-5)16-19-28(30)45-29/h10,13,16,19-20,23,25-27,31-35H,6-9,11-12,14-15,17-18,21-22H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t23-,26-,27+,31-,32+,33+,34-,42-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403657 ((1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2S)-2-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1CC(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C41H56F2N6O9S/c1-7-25-30-21-49(32(25)34(50)47-41(20-23(41)18-31(42)43)37(52)48-59(54,55)40(5)15-16-40)36(51)33(39(2,3)4)46-38(53)58-29-17-22(29)11-9-8-10-12-27-35(57-30)45-28-19-24(56-6)13-14-26(28)44-27/h13-14,19,22-23,25,29-33H,7-12,15-18,20-21H2,1-6H3,(H,46,53)(H,47,50)(H,48,52)/t22-,23-,25-,29-,30+,32+,33-,41-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403670 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4(C)CC4)C(=O)[C@@H](NC(=O)O[C@@H]4C[C@@H]5C[C@@H]5[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1 |r| Show InChI InChI=1S/C42H54F4N6O9S/c1-20-29-19-52(30(20)34(53)50-41(18-25(41)33(43)44)37(55)51-62(57,58)40(5)13-14-40)36(54)32(39(2,3)4)49-38(56)61-28-16-21-15-24(21)23(28)9-7-8-12-42(45,46)31-35(60-29)48-27-17-22(59-6)10-11-26(27)47-31/h10-11,17,20-21,23-25,28-30,32-33H,7-9,12-16,18-19H2,1-6H3,(H,49,56)(H,50,53)(H,51,55)/t20-,21+,23-,24+,25+,28-,29+,30+,32-,41-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403671 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES C[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]3C[C@@H]3[C@H]1CCCCC(F)(F)c1nc3ccccc3nc1O2)C(C)(C)C |r| Show InChI InChI=1S/C41H52F4N6O8S/c1-20-28-19-51(29(20)33(52)49-40(18-24(40)32(42)43)36(54)50-60(56,57)39(5)14-15-39)35(53)31(38(2,3)4)48-37(55)59-27-17-21-16-23(21)22(27)10-8-9-13-41(44,45)30-34(58-28)47-26-12-7-6-11-25(26)46-30/h6-7,11-12,20-24,27-29,31-32H,8-10,13-19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t20-,21+,22-,23+,24+,27-,28+,29+,31-,40-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403673 ((1aR,5S,8S,9S,10R,19E,22aR)-5-tert-butyl-14-cyano-...) Show SMILES CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CC\C=C\C(F)(F)C1Nc3ccc(cc3N=C1O2)C#N)C(C)(C)C |r,c:56,t:42| Show InChI InChI=1S/C40H49F4N7O8S/c1-6-22-27-19-51(28(22)32(52)49-39(17-23(39)31(41)42)35(54)50-60(56,57)38(5)13-14-38)34(53)30(37(2,3)4)48-36(55)59-26-16-21(26)9-7-8-12-40(43,44)29-33(58-27)47-25-15-20(18-45)10-11-24(25)46-29/h8,10-12,15,21-23,26-31,46H,6-7,9,13-14,16-17,19H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/b12-8+/t21-,22-,23+,26-,27+,28+,29?,30-,39-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403675 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES C[C@@H]1[C@H](CN([C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Oc1nc2cc(F)ccc2nc1Cl |r| Show InChI InChI=1S/C23H29ClFN3O5/c1-12-16(31-19-18(24)26-14-9-8-13(25)10-15(14)27-19)11-28(21(30)33-23(5,6)7)17(12)20(29)32-22(2,3)4/h8-10,12,16-17H,11H2,1-7H3/t12-,16+,17+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403652 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C |r| Show InChI InChI=1S/C39H52F2N4O7/c1-11-13-14-24-25-17-22(25)18-28(24)51-36(48)44-32(37(4,5)6)34(46)45-20-29(21(3)30(45)35(47)52-38(7,8)9)50-33-31(39(40,41)12-2)42-26-16-15-23(49-10)19-27(26)43-33/h11-12,15-16,19,21-22,24-25,28-30,32H,1-2,13-14,17-18,20H2,3-10H3,(H,44,48)/t21-,22+,24-,25+,28-,29+,30+,32-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM498218 (US11014911, Example 43 | US11718603, Example 43) Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnc3ncsc23)n[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...				US Patent US11014911 (2021) BindingDB Entry DOI: 10.7270/Q23N26H2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM498218 (US11014911, Example 43 | US11718603, Example 43) Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnc3ncsc23)n[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22F7SJ2
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM370133 (US10233188, Example 22 | US10800783, Example 22 | ...) Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H27N5O3S/c1-13-11-14-12-20-19(21-15-7-9-23(10-8-15)28(2,26)27)22-17(14)24(18(13)25)16-5-3-4-6-16/h11-12,15-16H,3-10H2,1-2H3,(H,20,21,22)	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM403658 ((4aR,8S,11 S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)...) Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4CC4)C(=O)[C@@H](NC(=O)O[C@@H]4CCC=C[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1 |r,c:47| Show InChI InChI=1S/C41H52F4N6O9S/c1-21-29-20-51(30(21)34(52)49-40(19-25(40)33(42)43)37(54)50-61(56,57)24-14-15-24)36(53)32(39(2,3)4)48-38(55)60-28-12-7-6-10-22(28)11-8-9-17-41(44,45)31-35(59-29)47-27-18-23(58-5)13-16-26(27)46-31/h6,10,13,16,18,21-22,24-25,28-30,32-33H,7-9,11-12,14-15,17,19-20H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22+,25+,28-,29+,30+,32-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 13195 total )  |  Next  |  Last  >>

Jump to: