Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'yamajala' and Initial = 'b'   

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/Non-structural protein 4A (Hepatitis C virus)	BDBM50537558 (Narlaprevir | SCH 900518 | SCH-900518) Show SMILES [H][C@]12CN([C@H](C(=O)N[C@@H](CCCC)C(=O)C(=O)NC3CC3)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C |r| Show InChI InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537563 (CHEMBL4634405) Show SMILES CC(=O)N[C@@H](C(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)=O |r| Show InChI InChI=1S/C43H54F2N6O14/c1-23(52)46-36(43(64)65)41(61)48-28(18-20-33(55)56)38(58)51-35(34(25-13-7-3-8-14-25)26-15-9-4-10-16-26)40(60)47-27(17-19-32(53)54)37(57)49-29(21-24-11-5-2-6-12-24)39(59)50-30(42(62)63)22-31(44)45/h3-4,7-10,13-16,24,27-31,34-36H,2,5-6,11-12,17-22H2,1H3,(H,46,52)(H,47,60)(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,53,54)(H,55,56)(H,62,63)(H,64,65)/t27-,28-,29-,30-,35-,36+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor from human A431 cell membranes				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537564 (CHEMBL4644516) Show SMILES CC(=O)N[C@@H](C(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 |r| Show InChI InChI=1S/C42H54N6O14S/c1-23(49)43-35(42(61)62)40(58)45-28(18-20-32(52)53)37(55)48-34(33(25-13-7-3-8-14-25)26-15-9-4-10-16-26)39(57)44-27(17-19-31(50)51)36(54)46-29(21-24-11-5-2-6-12-24)38(56)47-30(22-63)41(59)60/h3-4,7-10,13-16,24,27-30,33-35,63H,2,5-6,11-12,17-22H2,1H3,(H,43,49)(H,44,57)(H,45,58)(H,46,54)(H,47,56)(H,48,55)(H,50,51)(H,52,53)(H,59,60)(H,61,62)/t27-,28-,29-,30-,34-,35+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537569 (CHEMBL4646328) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OC(C)C)C(=O)N[C@@H](CC(F)(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O |r| Show InChI InChI=1S/C27H36ClF3N4O9/c1-13(2)9-18(33-24(40)19(11-21(36)37)35-26(43)44-14(3)4)23(39)34-20(12-27(29,30)31)22(38)32-8-7-15-5-6-16(25(41)42)10-17(15)28/h5-6,10,13-14,18-20H,7-9,11-12H2,1-4H3,(H,32,38)(H,33,40)(H,34,39)(H,35,43)(H,36,37)(H,41,42)/t18-,19-,20-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50103860 (2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(N)=O)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H21N6O7P/c1-27-16-7-11(20(29)26-15(21(30)31)9-35(32,33)34)3-5-13(16)25-18(27)8-17-23-12-4-2-10(19(22)28)6-14(12)24-17/h2-7,15H,8-9H2,1H3,(H2,22,28)(H,23,24)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50495950 (Danoprevir | R-05190591 | R05190591 | RO-5190591 |...) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23| Show InChI InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50485492 (Grazoprevir | Grazoprevir monohydrate | MK-5172 | ...) Show SMILES [H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r| Show InChI InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537589 (CHEMBL4287268) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](C[C@@]1([H])C(=O)N(C)CCCC\C=C\2)Oc1cc(nc2c(C)c(OC)ccc12)-c1nc(cs1)C(C)C)C(=O)NS(=O)(=O)C1CC1 |r,t:24| Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8+/t23-,24-,27-,28-,38-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y188L reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537581 (CHEMBL4638107) Show SMILES [H][C@@]12CCN(CCN(C)C)[C@@]1([H])c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(cc3n1CC2)C(O)=O |r| Show InChI InChI=1S/C32H41N3O3/c1-33(2)17-18-34-15-13-22-14-16-35-28-19-23(32(36)37)9-11-26(28)29(21-7-5-4-6-8-21)31(35)25-12-10-24(38-3)20-27(25)30(22)34/h9-12,19-22,30H,4-8,13-18H2,1-3H3,(H,36,37)/t22-,30+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537583 (CHEMBL4638630) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC(=Cc2c1)c1c(cnn1-c1ccncc1C)C(=O)C1C2CCCC1COC2)C(=O)NS(=O)(=O)C(C)C |c:25,THB:38:40:46.47.48:42.43.44| Show InChI InChI=1S/C46H51N5O6S/c1-27(2)58(54,55)49-46(53)30-13-15-37-40(21-30)50-24-34(19-33-20-35(56-4)14-16-36(33)44(50)42(37)29-9-6-5-7-10-29)43-38(23-48-51(43)39-17-18-47-22-28(39)3)45(52)41-31-11-8-12-32(41)26-57-25-31/h13-23,27,29,31-32,41H,5-12,24-26H2,1-4H3,(H,49,53)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537585 (CHEMBL4646449) Show SMILES Cc1ccc2c(c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2c1)-c1ccc[nH]c1=O |(25.71,-7.97,;27.04,-8.74,;28.37,-7.96,;29.71,-8.73,;29.71,-10.28,;30.86,-11.3,;30.24,-12.71,;31.01,-14.04,;32.55,-14.03,;30.25,-15.38,;31.02,-16.7,;32.35,-15.92,;32.36,-17.46,;30.26,-18.04,;28.93,-18.82,;30.27,-19.59,;28.71,-12.55,;27.92,-13.88,;26.38,-13.86,;25.64,-12.52,;24.1,-12.5,;23.34,-11.16,;23.31,-13.83,;24.07,-15.17,;25.61,-15.18,;26.37,-16.52,;28.39,-11.05,;27.04,-10.28,;32.36,-10.98,;33.39,-12.12,;34.89,-11.8,;35.37,-10.34,;34.34,-9.19,;32.82,-9.51,;31.79,-8.37,)| Show InChI InChI=1S/C25H21F2N3O4S/c1-14-4-8-18-21(11-14)30(13-15-12-16(26)5-9-20(15)27)23(22(18)19-3-2-10-28-24(19)31)25(32)29-35(33,34)17-6-7-17/h2-5,8-12,17H,6-7,13H2,1H3,(H,28,31)(H,29,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537579 (CHEMBL4635161) Show SMILES CN(C)CCN(C)[C@@H]1Cn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc2O1 |r| Show InChI InChI=1S/C28H35N3O3/c1-29(2)15-16-30(3)25-18-31-23-17-20(28(32)33)13-14-21(23)26(19-9-5-4-6-10-19)27(31)22-11-7-8-12-24(22)34-25/h7-8,11-14,17,19,25H,4-6,9-10,15-16,18H2,1-3H3,(H,32,33)/t25-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537587 (CHEMBL4633142) Show SMILES CC1COc2cc3c(c(C(=O)NS(C)(=O)=O)n(Cc4cc(F)ccc4F)c3cc12)-c1ccc[nH]c1=O |(21.41,-24.4,;22.91,-24.06,;23.53,-22.66,;25.05,-22.81,;25.38,-24.31,;26.73,-25.08,;26.73,-26.63,;27.88,-27.65,;27.26,-29.06,;28.03,-30.39,;29.57,-30.39,;27.27,-31.73,;28.04,-33.05,;27.27,-34.4,;29.37,-32.28,;29.38,-33.82,;25.73,-28.9,;24.94,-30.23,;23.4,-30.21,;22.65,-28.87,;21.11,-28.85,;20.36,-27.51,;20.32,-30.18,;21.09,-31.53,;22.63,-31.54,;23.39,-32.88,;25.4,-27.4,;24.06,-26.63,;24.06,-25.08,;29.38,-27.33,;30.41,-28.47,;31.91,-28.15,;32.39,-26.69,;31.36,-25.54,;29.85,-25.86,;28.81,-24.72,)| Show InChI InChI=1S/C25H21F2N3O5S/c1-13-12-35-21-10-18-20(9-17(13)21)30(11-14-8-15(26)5-6-19(14)27)23(25(32)29-36(2,33)34)22(18)16-4-3-7-28-24(16)31/h3-10,13H,11-12H2,1-2H3,(H,28,31)(H,29,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537578 (CHEMBL245328) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5cc(ccc5N5CCOCC5)N5CCCC5=O)cc4OCCn3c2c1 Show InChI InChI=1S/C38H41N3O6/c42-35-7-4-14-40(35)28-9-13-32(39-15-18-45-19-16-39)27(21-28)24-47-29-10-12-31-34(23-29)46-20-17-41-33-22-26(38(43)44)8-11-30(33)36(37(31)41)25-5-2-1-3-6-25/h8-13,21-23,25H,1-7,14-20,24H2,(H,43,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50379197 (CHEMBL2011266) Show SMILES Cc1cc2c(c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1F)-c1ccc[nH]c1=O |(35.01,-44.88,;36.34,-45.65,;37.67,-44.88,;39.01,-45.64,;40.48,-45.16,;41.39,-46.42,;42.74,-47.16,;44.06,-46.37,;42.76,-48.7,;44.11,-49.45,;44.87,-48.11,;45.65,-49.44,;44.13,-50.99,;43.39,-52.34,;44.93,-52.31,;40.48,-47.67,;41.29,-48.98,;40.56,-50.34,;39.02,-50.38,;38.29,-51.73,;36.75,-51.78,;39.1,-53.04,;40.65,-52.99,;41.37,-51.64,;42.91,-51.59,;39.01,-47.19,;37.68,-47.96,;36.34,-47.19,;35.01,-47.96,;41.25,-43.83,;40.48,-42.5,;41.23,-41.17,;42.78,-41.16,;43.56,-42.49,;42.79,-43.82,;43.57,-45.15,)| Show InChI InChI=1S/C25H20F3N3O4S/c1-13-9-18-21(11-20(13)28)31(12-14-10-15(26)4-7-19(14)27)23(22(18)17-3-2-8-29-24(17)32)25(33)30-36(34,35)16-5-6-16/h2-4,7-11,16H,5-6,12H2,1H3,(H,29,32)(H,30,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y188L reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537574 (CHEMBL4643906) Show SMILES CC(C)N1CCC(C1)N(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(C(O)=O)c(C)c12)-c1ccccc1 Show InChI InChI=1S/C30H39N3O3S/c1-19(2)32-16-15-23(17-32)31(4)24(34)18-33-26-20(3)28(30(35)36)37-29(26)25(21-11-7-5-8-12-21)27(33)22-13-9-6-10-14-22/h6,9-10,13-14,19,21,23H,5,7-8,11-12,15-18H2,1-4H3,(H,35,36)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537575 (CHEMBL4638877) Show SMILES Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccc(OCc2cc(ccc2N2CCOCC2)N2CCCC2=O)cc1 Show InChI InChI=1S/C35H39N3O5S/c1-36-29-21-30(35(40)41)44-34(29)32(23-6-3-2-4-7-23)33(36)24-9-12-27(13-10-24)43-22-25-20-26(38-15-5-8-31(38)39)11-14-28(25)37-16-18-42-19-17-37/h9-14,20-21,23H,2-8,15-19,22H2,1H3,(H,40,41)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537588 (CHEMBL4643189) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccc(cc2-c2ccc(Cl)cc2)N2CCCC2=O)cc1F Show InChI InChI=1S/C37H33ClFN3O4/c38-26-12-8-23(9-13-26)31-20-28(41-18-4-7-35(41)43)14-10-25(31)22-46-29-15-16-30(32(39)21-29)36-40-33-19-24(37(44)45)11-17-34(33)42(36)27-5-2-1-3-6-27/h8-17,19-21,27H,1-7,18,22H2,(H,44,45)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50142061 ((2S)-2-(1-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imi...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C29H28N4O4/c34-28(32-25(29(35)36)15-20-16-30-23-9-5-4-8-22(20)23)18-10-11-26-24(14-18)31-27(19-12-13-37-17-19)33(26)21-6-2-1-3-7-21/h4-5,8-14,16-17,21,25,30H,1-3,6-7,15H2,(H,32,34)(H,35,36)/t25-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50081635 (CHEMBL3422107) Show SMILES CC(C)N1CC[C@H](C1)N1CCn2c(c(C3CCCCC3)c3sc(cc23)C(O)=O)-c2ccccc2C1 |r| Show InChI InChI=1S/C29H37N3O2S/c1-19(2)30-13-12-22(18-30)31-14-15-32-24-16-25(29(33)34)35-28(24)26(20-8-4-3-5-9-20)27(32)23-11-7-6-10-21(23)17-31/h6-7,10-11,16,19-20,22H,3-5,8-9,12-15,17-18H2,1-2H3,(H,33,34)/t22-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase K103N				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537580 (CHEMBL480816) Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc2C1 Show InChI InChI=1S/C28H35N3O2/c1-29(2)14-15-30-16-17-31-25-18-21(28(32)33)12-13-24(25)26(20-8-4-3-5-9-20)27(31)23-11-7-6-10-22(23)19-30/h6-7,10-13,18,20H,3-5,8-9,14-17,19H2,1-2H3,(H,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537566 (CHEMBL4640558) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CS)C(O)=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H54N6O13S/c1-20(2)29(36(52)44-17-24(57-18-22-10-6-4-7-11-22)16-27(44)33(49)41-26(19-58)37(53)54)42-34(50)30(23-12-8-5-9-13-23)43-32(48)25(14-15-28(46)47)40-35(51)31(38(55)56)39-21(3)45/h4,6-7,10-11,20,23-27,29-31,58H,5,8-9,12-19H2,1-3H3,(H,39,45)(H,40,51)(H,41,49)(H,42,50)(H,43,48)(H,46,47)(H,53,54)(H,55,56)/t24-,25+,26?,27+,29+,30+,31-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537586 (CHEMBL4641917) Show SMILES CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2ccc(Cl)cc2n1Cc1ccnc(N)c1 |(15.23,-36.58,;14.44,-35.25,;14.44,-33.71,;15.77,-34.47,;12.91,-35.27,;12.13,-33.95,;10.57,-33.96,;9.79,-32.62,;10.56,-31.28,;12.1,-31.28,;12.88,-32.6,;12.87,-29.94,;14.2,-29.16,;14.2,-30.7,;12.09,-28.61,;12.86,-27.28,;14.4,-27.27,;12.08,-25.95,;12.7,-24.54,;14.2,-24.22,;15.24,-25.36,;16.73,-25.04,;17.21,-23.58,;16.18,-22.43,;14.67,-22.75,;13.64,-21.61,;11.56,-23.52,;11.55,-21.97,;10.22,-21.2,;8.89,-21.97,;7.55,-21.2,;8.89,-23.52,;10.23,-24.29,;10.55,-25.79,;9.77,-27.12,;8.23,-27.1,;7.46,-28.42,;5.92,-28.41,;5.16,-27.06,;5.94,-25.74,;5.19,-24.4,;7.48,-25.76,)| Show InChI InChI=1S/C27H23ClN6O6S2/c1-41(37,38)32-18-4-2-5-19(14-18)42(39,40)33-27(36)25-24(21-6-3-10-31-26(21)35)20-8-7-17(28)13-22(20)34(25)15-16-9-11-30-23(29)12-16/h2-14,32H,15H2,1H3,(H2,29,30)(H,31,35)(H,33,36)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase P236L				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537571 (CHEMBL390883) Show SMILES CC(C)N(C(C)=O)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1 Show InChI InChI=1S/C36H41FN4O5/c1-23(2)40(24(3)42)28-10-14-33(39-15-17-45-18-16-39)26(19-28)22-46-29-11-12-30(31(37)21-29)35-38-32-20-25(36(43)44)9-13-34(32)41(35)27-7-5-4-6-8-27/h9-14,19-21,23,27H,4-8,15-18,22H2,1-3H3,(H,43,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537565 (CHEMBL4649647) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(O)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)OCc1ccccc1 |r| Show InChI InChI=1S/C39H54N6O13/c1-21(2)29(36(53)45-19-25(58-20-23-10-6-4-7-11-23)18-27(45)33(50)44-39(16-17-39)38(56)57)42-34(51)30(24-12-8-5-9-13-24)43-32(49)26(14-15-28(47)48)41-35(52)31(37(54)55)40-22(3)46/h4,6-7,10-11,21,24-27,29-31H,5,8-9,12-20H2,1-3H3,(H,40,46)(H,41,52)(H,42,51)(H,43,49)(H,44,50)(H,47,48)(H,54,55)(H,56,57)/t25-,26+,27+,29+,30+,31-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537584 (CHEMBL4636786) Show SMILES Nc1cc(Cn2c(C(O)=O)c(-c3ccc[nH]c3=O)c3ccc(Cl)cc23)ccn1 |(7.03,-10.36,;7.79,-11.7,;9.33,-11.72,;10.07,-13.06,;11.62,-13.08,;12.4,-11.75,;13.93,-11.91,;14.71,-13.24,;13.94,-14.58,;16.25,-13.24,;14.55,-10.5,;16.05,-10.18,;17.09,-11.33,;18.59,-11,;19.07,-9.54,;18.03,-8.39,;16.52,-8.71,;15.49,-7.57,;13.41,-9.48,;13.4,-7.93,;12.06,-7.16,;10.73,-7.93,;9.4,-7.16,;10.73,-9.48,;12.08,-10.25,;9.3,-14.39,;7.76,-14.38,;7,-13.03,)| Show InChI InChI=1S/C20H15ClN4O3/c21-12-3-4-13-15(9-12)25(10-11-5-7-23-16(22)8-11)18(20(27)28)17(13)14-2-1-6-24-19(14)26/h1-9H,10H2,(H2,22,23)(H,24,26)(H,27,28)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50187149 (6-cyclohexyl-4-(2-(dimethylamino)-2-oxoethyl)-5-ph...) Show SMILES CN(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H26N2O3S/c1-24(2)19(26)14-25-17-13-18(23(27)28)29-22(17)20(15-9-5-3-6-10-15)21(25)16-11-7-4-8-12-16/h4,7-8,11-13,15H,3,5-6,9-10,14H2,1-2H3,(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537582 (CHEMBL1783101) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NC(=O)Cn3c2c1 Show InChI InChI=1S/C23H22N2O3/c26-20-13-25-19-12-15(23(27)28)10-11-17(19)21(14-6-2-1-3-7-14)22(25)16-8-4-5-9-18(16)24-20/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,26)(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50137504 (1-Cyclohexyl-2-furan-2-yl-1H-benzoimidazole-5-carb...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-8-9-15-14(11-12)19-17(16-7-4-10-23-16)20(15)13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537572 (CHEMBL1087567) Show SMILES Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccco3)c3cscn3)c2c1 |r| Show InChI InChI=1S/C31H29N5O3S/c37-22-9-10-24-23(15-22)20(16-32-24)14-25(27-17-40-18-33-27)35-31(38)19-8-11-28-26(13-19)34-30(29-7-4-12-39-29)36(28)21-5-2-1-3-6-21/h4,7-13,15-18,21,25,32,37H,1-3,5-6,14H2,(H,35,38)/t25-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50370763 (CHEMBL1203926) Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1 Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537576 (CHEMBL4633554) Show SMILES C\C(=C\c1cc(-c2ccc(OCc3cc(CN4CCC(O)CC4=O)ccc3-c3ccc(cc3)C#N)cc2)n(n1)C1CCCCC1)C(O)=O Show InChI InChI=1S/C39H40N4O5/c1-26(39(46)47)19-32-21-37(43(41-32)33-5-3-2-4-6-33)30-12-14-35(15-13-30)48-25-31-20-28(24-42-18-17-34(44)22-38(42)45)9-16-36(31)29-10-7-27(23-40)8-11-29/h7-16,19-21,33-34,44H,2-6,17-18,22,24-25H2,1H3,(H,46,47)/b26-19-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50160199 (6,7-Bis-(4-fluoro-phenyl)-pteridin-4-ol | CHEMBL18...) Show SMILES Fc1ccc(cc1)-c1nc2nc[nH]c(=O)c2nc1-c1ccc(F)cc1 Show InChI InChI=1S/C18H10F2N4O/c19-12-5-1-10(2-6-12)14-15(11-3-7-13(20)8-4-11)24-17-16(23-14)18(25)22-9-21-17/h1-9H,(H,21,22,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537573 (CHEMBL4642429) Show SMILES OC(=O)\C=C\c1ccc(NC(=O)N(C2CCCC2)C(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1 Show InChI InChI=1S/C34H35N5O4/c40-31(41)20-15-23-13-17-25(18-14-23)36-34(43)39(27-10-4-5-11-27)33(42)24-16-19-30-29(22-24)37-32(28-12-6-7-21-35-28)38(30)26-8-2-1-3-9-26/h6-7,12-22,26-27H,1-5,8-11H2,(H,36,43)(H,40,41)/b20-15+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y188L reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50537577 (CHEMBL4639473) Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)C1CCCCC1 |r| Show InChI InChI=1S/C32H30N4O4/c37-23-12-14-25-24(17-23)22(18-33-25)16-28(32(39)40)36-31(38)21-11-13-26-27(15-21)35-30(20-9-5-2-6-10-20)29(34-26)19-7-3-1-4-8-19/h1,3-4,7-8,11-15,17-18,20,28,33,37H,2,5-6,9-10,16H2,(H,36,38)(H,39,40)/t28-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537567 (CHEMBL4632418) Show SMILES COc1ccc2cc(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)C(=O)NC3(CC3)C(O)=O)cnc2c1 |r| Show InChI InChI=1S/C34H45N5O8/c1-19(2)28(37-31(42)29(36-20(3)40)21-8-6-5-7-9-21)32(43)39-18-25(16-27(39)30(41)38-34(12-13-34)33(44)45)47-24-14-22-10-11-23(46-4)15-26(22)35-17-24/h10-11,14-15,17,19,21,25,27-29H,5-9,12-13,16,18H2,1-4H3,(H,36,40)(H,37,42)(H,38,41)(H,44,45)/t25-,27+,28+,29+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50137488 (1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carb...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C18H18N2O3/c21-18(22)12-6-7-16-15(10-12)19-17(13-8-9-23-11-13)20(16)14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537559 (CHEMBL4640738) Show SMILES CCCC1(CC(O)=O)OCCC2C1Nc1c2c(CC)ccc1Cl Show InChI InChI=1S/C18H24ClNO3/c1-3-8-18(10-14(21)22)17-12(7-9-23-18)15-11(4-2)5-6-13(19)16(15)20-17/h5-6,12,17,20H,3-4,7-10H2,1-2H3,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation in A431 human epidermoid carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50181949 (2-(4-(benzyloxy)phenyl)-1-cyclopentyl-1H-benzo[d]i...) Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C26H24N2O3/c29-26(30)20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)31-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537591 (CHEMBL3617579) Show SMILES On1c(nc2ccccc2c1=O)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C18H17N3O3/c22-17(19-12-6-9-13-7-2-1-3-8-13)16-20-15-11-5-4-10-14(15)18(23)21(16)24/h1-5,7-8,10-11,24H,6,9,12H2,(H,19,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase G190A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50537568 (CHEMBL4641913) Show SMILES CC(C)C[C@H](NC[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(O)=O)C(N)=O |r| Show InChI InChI=1S/C27H46N4O7/c1-16(2)12-21(24(28)34)29-15-18(14-23(32)33)30-26(36)22(13-17-8-4-3-5-9-17)31-25(35)19-10-6-7-11-20(19)27(37)38/h16-22,29H,3-15H2,1-2H3,(H2,28,34)(H,30,36)(H,31,35)(H,32,33)(H,37,38)/t18-,19+,20+,21-,22-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537590 (CHEMBL4641216) Show SMILES ON1C(C(c2ccccc2)c2ccccc2C1=O)C(O)=O Show InChI InChI=1S/C16H13NO4/c18-15-12-9-5-4-8-11(12)13(10-6-2-1-3-7-10)14(16(19)20)17(15)21/h1-9,13-14,21H,(H,19,20)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Mutant Reverse transcriptase V106A				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537570 (CHEMBL474496) Show SMILES OC(=O)C(\O)=C\C(=O)c1cccc(OCc2cc(Cl)cc(Cl)c2C#N)c1 Show InChI InChI=1S/C18H11Cl2NO5/c19-12-4-11(14(8-21)15(20)6-12)9-26-13-3-1-2-10(5-13)16(22)7-17(23)18(24)25/h1-7,23H,9H2,(H,24,25)/b17-7-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537561 (CHEMBL388502) Show SMILES CN(C)CCCn1c(N)nc2ccc3OC(CN(C)C)Cc3c12 Show InChI InChI=1S/C17H27N5O/c1-20(2)8-5-9-22-16-13-10-12(11-21(3)4)23-15(13)7-6-14(16)19-17(22)18/h6-7,12H,5,8-11H2,1-4H3,(H2,18,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537560 (CHEMBL427101) Show SMILES CN(C)CCCn1c(N)nc2ccccc12 Show InChI InChI=1S/C12H18N4/c1-15(2)8-5-9-16-11-7-4-3-6-10(11)14-12(16)13/h3-4,6-7H,5,8-9H2,1-2H3,(H2,13,14)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50537562 (CHEMBL223720) Show SMILES CN(C)CC1CNc2nc3ccc4OCC(CN(C)C)Cc4c3n2C1 Show InChI InChI=1S/C19H29N5O/c1-22(2)9-13-7-15-17(25-12-13)6-5-16-18(15)24-11-14(10-23(3)4)8-20-19(24)21-16/h5-6,13-14H,7-12H2,1-4H3,(H,20,21)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1016/j.ejmech.2018.12.045 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair