Compile Data Set for Download or QSAR

Found 1294 hits with Last Name = 'russo' and Initial = 's'   

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)	BDBM50110121 (3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110121 (3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O Show InChI InChI=1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110117 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C=O Show InChI InChI=1S/C44H56F2N6O13/c1-25(54)47-33(23-37(59)60)43(64)49-31(18-20-36(57)58)41(62)52-39(38(27-13-7-3-8-14-27)28-15-9-4-10-16-28)44(65)50-30(17-19-35(55)56)40(61)51-32(21-26-11-5-2-6-12-26)42(63)48-29(24-53)22-34(45)46/h3-4,7-10,13-16,24,26,29-34,38-39H,2,5-6,11-12,17-23H2,1H3,(H,47,54)(H,48,63)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,55,56)(H,57,58)(H,59,60)/t29-,30-,31-,32-,33-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110117 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C=O Show InChI InChI=1S/C44H56F2N6O13/c1-25(54)47-33(23-37(59)60)43(64)49-31(18-20-36(57)58)41(62)52-39(38(27-13-7-3-8-14-27)28-15-9-4-10-16-28)44(65)50-30(17-19-35(55)56)40(61)51-32(21-26-11-5-2-6-12-26)42(63)48-29(24-53)22-34(45)46/h3-4,7-10,13-16,24,26,29-34,38-39H,2,5-6,11-12,17-23H2,1H3,(H,47,54)(H,48,63)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,55,56)(H,57,58)(H,59,60)/t29-,30-,31-,32-,33-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110122 ((S)-4-((S)-2-Acetylamino-3-carboxy-propionylamino)...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C52H63F2N7O14/c1-30(62)56-39(28-43(67)68)50(73)57-36(23-25-42(65)66)48(71)61-45(44(33-18-10-4-11-19-33)34-20-12-5-13-21-34)51(74)58-35(22-24-41(63)64)47(70)60-38(26-31-14-6-2-7-15-31)49(72)59-37(27-40(53)54)46(69)52(75)55-29-32-16-8-3-9-17-32/h3-5,8-13,16-21,31,35-40,44-45H,2,6-7,14-15,22-29H2,1H3,(H,55,75)(H,56,62)(H,57,73)(H,58,74)(H,59,72)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,67,68)/t35-,36-,37-,38-,39-,45-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110120 (3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES COC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C46H58F2N6O15/c1-25(55)49-33(24-37(60)61)44(66)50-30(19-21-36(58)59)42(64)54-39(38(27-14-8-4-9-15-27)28-16-10-5-11-17-28)45(67)51-29(18-20-35(56)57)41(63)53-32(22-26-12-6-3-7-13-26)43(65)52-31(23-34(47)48)40(62)46(68)69-2/h4-5,8-11,14-17,26,29-34,38-39H,3,6-7,12-13,18-24H2,1-2H3,(H,49,55)(H,50,66)(H,51,67)(H,52,65)(H,53,63)(H,54,64)(H,56,57)(H,58,59)(H,60,61)/t29-,30-,31-,32-,33-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110126 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C=O Show InChI InChI=1S/C45H58N6O13/c1-3-13-31(26-52)47-43(62)34(24-28-14-7-4-8-15-28)50-41(60)32(20-22-36(54)55)49-45(64)40(39(29-16-9-5-10-17-29)30-18-11-6-12-19-30)51-42(61)33(21-23-37(56)57)48-44(63)35(25-38(58)59)46-27(2)53/h3,5-6,9-12,16-19,26,28,31-35,39-40H,1,4,7-8,13-15,20-25H2,2H3,(H,46,53)(H,47,62)(H,48,63)(H,49,64)(H,50,60)(H,51,61)(H,54,55)(H,56,57)(H,58,59)/t31-,32-,33-,34-,35-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150997 (4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobut...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1csc(NC(C)C)n1 Show InChI InChI=1S/C44H53F4N7O9S/c1-21(2)19-63-44(61)54-38(22(3)4)41(58)55-18-26(64-36-16-32(34-20-65-43(53-34)50-23(5)6)51-31-14-25(62-7)8-9-28(31)36)15-35(55)40(57)52-33(17-37(47)48)39(56)49-11-10-27-29(45)12-24(42(59)60)13-30(27)46/h8-9,12-14,16,20-23,26,33,35,37-38H,10-11,15,17-19H2,1-7H3,(H,49,56)(H,50,53)(H,52,57)(H,54,61)(H,59,60)/t26-,33+,35+,38+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110125 (2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150993 (4-[2-(4,4-Difluoro-2-{[(S)-(R)-1-(2-isobutoxycarbo...) Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)C(NC(=O)OCC(C)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1ccccc1 Show InChI InChI=1S/C45H51F4N5O9/c1-24(2)23-62-44(60)53-39(45(3,4)5)42(57)54-22-28(63-37-20-33(25-10-8-7-9-11-25)51-34-18-27(61-6)12-13-30(34)37)19-36(54)41(56)52-35(21-38(48)49)40(55)50-15-14-29-31(46)16-26(43(58)59)17-32(29)47/h7-13,16-18,20,24,28,35-36,38-39H,14-15,19,21-23H2,1-6H3,(H,50,55)(H,52,56)(H,53,60)(H,58,59)/t28-,35+,36+,39?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50084685 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O Show InChI InChI=1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110125 (2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(O)=O Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110123 (2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC=C)C(O)=O Show InChI InChI=1S/C45H58N6O14/c1-3-13-32(45(64)65)49-42(61)33(24-27-14-7-4-8-15-27)50-40(59)30(20-22-35(53)54)48-44(63)39(38(28-16-9-5-10-17-28)29-18-11-6-12-19-29)51-41(60)31(21-23-36(55)56)47-43(62)34(25-37(57)58)46-26(2)52/h3,5-6,9-12,16-19,27,30-34,38-39H,1,4,7-8,13-15,20-25H2,2H3,(H,46,52)(H,47,62)(H,48,63)(H,49,61)(H,50,59)(H,51,60)(H,53,54)(H,55,56)(H,57,58)(H,64,65)/t30-,31-,32-,33-,34-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150992 (CHEMBL366279 | {(S)-1-[(2S,4S)-4-Cyclohexyl-2-((S)...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)-c1nnn[nH]1)C1CCCCC1 Show InChI InChI=1S/C34H48F4N8O5/c1-18(2)17-51-34(50)41-29(19(3)4)33(49)46-16-22(20-8-6-5-7-9-20)14-27(46)32(48)40-26(15-28(37)38)31(47)39-11-10-23-24(35)12-21(13-25(23)36)30-42-44-45-43-30/h12-13,18-20,22,26-29H,5-11,14-17H2,1-4H3,(H,39,47)(H,40,48)(H,41,50)(H,42,43,44,45)/t22-,26+,27+,29+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150991 (2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)ccc(OC(C)C(O)=O)c1F)C1CCCCC1 Show InChI InChI=1S/C36H52F4N4O8/c1-19(2)18-51-36(50)43-31(20(3)4)34(47)44-17-23(22-9-7-6-8-10-22)15-27(44)33(46)42-26(16-29(38)39)32(45)41-14-13-24-25(37)11-12-28(30(24)40)52-21(5)35(48)49/h11-12,19-23,26-27,29,31H,6-10,13-18H2,1-5H3,(H,41,45)(H,42,46)(H,43,50)(H,48,49)/t21?,23-,26+,27+,31+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110124 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C51H59F2N7O13S/c1-28(61)54-37(27-42(66)67)49(72)55-34(22-24-41(64)65)47(70)60-44(43(30-15-7-3-8-16-30)31-17-9-4-10-18-31)50(73)56-33(21-23-40(62)63)46(69)58-36(25-29-13-5-2-6-14-29)48(71)57-35(26-39(52)53)45(68)51-59-32-19-11-12-20-38(32)74-51/h3-4,7-12,15-20,29,33-37,39,43-44H,2,5-6,13-14,21-27H2,1H3,(H,54,61)(H,55,72)(H,56,73)(H,57,71)(H,58,69)(H,60,70)(H,62,63)(H,64,65)(H,66,67)/t33-,34-,35-,36-,37-,44-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150989 (CHEMBL362406 | {3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)ccc(OCC(O)=O)c1F)C1CCCCC1 Show InChI InChI=1S/C35H50F4N4O8/c1-19(2)17-51-35(49)42-31(20(3)4)34(48)43-16-22(21-8-6-5-7-9-21)14-26(43)33(47)41-25(15-28(37)38)32(46)40-13-12-23-24(36)10-11-27(30(23)39)50-18-29(44)45/h10-11,19-22,25-26,28,31H,5-9,12-18H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t22-,25+,26+,31+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50551201 (CHEMBL4761556) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112083 BindingDB Entry DOI: 10.7270/Q2X35233
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150990 (4-[2-((S)-2-{[(R)-4-Cyclohexyl-1-((S)-2-isobutoxyc...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)C1CCCCC1 Show InChI InChI=1S/C34H48F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h12-13,18-20,22,26-29H,5-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22?,26-,27?,29-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150986 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cc(C=CC(O)=O)ccc1F)c1ccccc1 |w:36.37| Show InChI InChI=1S/C36H45F3N4O7/c1-21(2)20-50-36(49)42-32(22(3)4)35(48)43-19-26(24-8-6-5-7-9-24)17-29(43)34(47)41-28(18-30(38)39)33(46)40-15-14-25-16-23(10-12-27(25)37)11-13-31(44)45/h5-13,16,21-22,26,28-30,32H,14-15,17-20H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t26-,28+,29+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50234957 (CHEMBL3735125) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H52N2O4/c1-22(8-13-33(40)38-25(20-34(41)42)18-23-21-37-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(39)14-16-35(24,2)31(28)15-17-36(29,30)3/h4-7,21-22,24-26,28-31,37,39H,8-20H2,1-3H3,(H,38,40)(H,41,42)/t22-,24-,25+,26-,28+,29-,30+,31+,35+,36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112083 BindingDB Entry DOI: 10.7270/Q2X35233
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150984 (4-(2-{(S)-4,4-Difluoro-2-[(S)-2-((S)-2-isobutoxyca...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O Show InChI InChI=1S/C29H42F4N4O7/c1-14(2)9-21(36-27(40)24(16(5)6)37-29(43)44-13-15(3)4)26(39)35-22(12-23(32)33)25(38)34-8-7-18-19(30)10-17(28(41)42)11-20(18)31/h10-11,14-16,21-24H,7-9,12-13H2,1-6H3,(H,34,38)(H,35,39)(H,36,40)(H,37,43)(H,41,42)/t21-,22-,24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150994 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(C=CC(O)=O)c1F)c1ccccc1 |w:38.39| Show InChI InChI=1S/C36H45F3N4O7/c1-21(2)20-50-36(49)42-32(22(3)4)35(48)43-19-26(23-9-6-5-7-10-23)17-28(43)34(47)41-27(18-29(37)38)33(46)40-16-15-25-12-8-11-24(31(25)39)13-14-30(44)45/h5-14,21-22,26-29,32H,15-20H2,1-4H3,(H,40,46)(H,41,47)(H,42,49)(H,44,45)/t26-,27+,28+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150995 (CHEMBL263183 | [(S)-1-((2S,4S)-4-Cyclohexyl-2-{(S)...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(=O)NS(C)(=O)=O)C1CCCCC1 Show InChI InChI=1S/C35H51F4N5O8S/c1-19(2)18-52-35(49)42-30(20(3)4)34(48)44-17-23(21-9-7-6-8-10-21)15-28(44)33(47)41-27(16-29(38)39)32(46)40-12-11-24-25(36)13-22(14-26(24)37)31(45)43-53(5,50)51/h13-14,19-21,23,27-30H,6-12,15-18H2,1-5H3,(H,40,46)(H,41,47)(H,42,49)(H,43,45)/t23-,27+,28?,30+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50144349 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1 Show InChI InChI=1S/C34H42F4N4O7/c1-18(2)17-49-34(48)41-29(19(3)4)32(45)42-16-22(20-8-6-5-7-9-20)14-27(42)31(44)40-26(15-28(37)38)30(43)39-11-10-23-24(35)12-21(33(46)47)13-25(23)36/h5-9,12-13,18-19,22,26-29H,10-11,14-17H2,1-4H3,(H,39,43)(H,40,44)(H,41,48)(H,46,47)/t22-,26+,27+,29+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150983 (2-{3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl-1-((S)-2-iso...) Show SMILES CCC(Nc1cccc(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C2CCCCC2)c1)C(O)=O Show InChI InChI=1S/C37H57F2N5O7/c1-6-28(36(48)49)41-27-14-10-11-24(17-27)15-16-40-33(45)29(19-31(38)39)42-34(46)30-18-26(25-12-8-7-9-13-25)20-44(30)35(47)32(23(4)5)43-37(50)51-21-22(2)3/h10-11,14,17,22-23,25-26,28-32,41H,6-9,12-13,15-16,18-21H2,1-5H3,(H,40,45)(H,42,46)(H,43,50)(H,48,49)/t26-,28?,29+,30+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122891 (4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...) Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound for enzyme NS3 protease wild-type				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110128 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(1...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C51H59F2N7O14/c1-28(61)54-37(27-42(66)67)49(72)55-34(22-24-41(64)65)47(70)60-44(43(30-15-7-3-8-16-30)31-17-9-4-10-18-31)50(73)56-33(21-23-40(62)63)46(69)58-36(25-29-13-5-2-6-14-29)48(71)57-35(26-39(52)53)45(68)51-59-32-19-11-12-20-38(32)74-51/h3-4,7-12,15-20,29,33-37,39,43-44H,2,5-6,13-14,21-27H2,1H3,(H,54,61)(H,55,72)(H,56,73)(H,57,71)(H,58,69)(H,60,70)(H,62,63)(H,64,65)(H,66,67)/t33-,34-,35-,36-,37-,44-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110127 (2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(F)F)C(O)=O Show InChI InChI=1S/C44H56F2N6O14/c1-24(53)47-31(23-36(58)59)42(63)48-29(18-20-35(56)57)40(61)52-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)43(64)49-28(17-19-34(54)55)39(60)50-30(21-25-11-5-2-6-12-25)41(62)51-32(44(65)66)22-33(45)46/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,47,53)(H,48,63)(H,49,64)(H,50,60)(H,51,62)(H,52,61)(H,54,55)(H,56,57)(H,58,59)(H,65,66)/t28-,29-,30-,31-,32+,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150996 (CHEMBL181465 | {3-[2-((S)-2-{[(2S,4S)-4-Cyclohexyl...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(NC(C(O)=O)c2ccccc2)c1)C1CCCCC1 Show InChI InChI=1S/C41H57F2N5O7/c1-25(2)24-55-41(54)47-35(26(3)4)39(51)48-23-30(28-13-7-5-8-14-28)21-33(48)38(50)46-32(22-34(42)43)37(49)44-19-18-27-12-11-17-31(20-27)45-36(40(52)53)29-15-9-6-10-16-29/h6,9-12,15-17,20,25-26,28,30,32-36,45H,5,7-8,13-14,18-19,21-24H2,1-4H3,(H,44,49)(H,46,50)(H,47,54)(H,52,53)/t30-,32+,33+,35+,36?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110118 (2-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) Show SMILES CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(O)=O Show InChI InChI=1S/C44H58N6O14/c1-3-29(44(63)64)46-41(60)32(23-26-13-7-4-8-14-26)49-39(58)30(19-21-34(52)53)48-43(62)38(37(27-15-9-5-10-16-27)28-17-11-6-12-18-28)50-40(59)31(20-22-35(54)55)47-42(61)33(24-36(56)57)45-25(2)51/h5-6,9-12,15-18,26,29-33,37-38H,3-4,7-8,13-14,19-24H2,1-2H3,(H,45,51)(H,46,60)(H,47,61)(H,48,62)(H,49,58)(H,50,59)(H,52,53)(H,54,55)(H,56,57)(H,63,64)/t29-,30-,31-,32-,33-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50234948 (CHEMBL4078429) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C37H53N3O5/c1-22(8-13-33(41)40-25(20-34(42)43)18-23-21-39-32-7-5-4-6-27(23)32)29-11-12-30-28-10-9-24-19-26(45-35(38)44)14-16-36(24,2)31(28)15-17-37(29,30)3/h4-7,21-22,24-26,28-31,39H,8-20H2,1-3H3,(H2,38,44)(H,40,41)(H,42,43)/t22-,24-,25+,26-,28+,29-,30+,31+,36+,37-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of biotinylated ephrin-A1-Fc binding to EphA2 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112083 BindingDB Entry DOI: 10.7270/Q2X35233
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122891 (4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...) Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Binding affinity for enzyme K136R				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150985 (CHEMBL362404 | {3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(OC(C(O)=O)c2ccccc2)c1)c1ccccc1 Show InChI InChI=1S/C41H50F2N4O8/c1-25(2)24-54-41(53)46-35(26(3)4)39(50)47-23-30(28-13-7-5-8-14-28)21-33(47)38(49)45-32(22-34(42)43)37(48)44-19-18-27-12-11-17-31(20-27)55-36(40(51)52)29-15-9-6-10-16-29/h5-17,20,25-26,30,32-36H,18-19,21-24H2,1-4H3,(H,44,48)(H,45,49)(H,46,53)(H,51,52)/t30-,32+,33+,35+,36?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50144357 (3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22-,24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150988 ((E)-3-{3-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-((S)-2...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1cccc(C=CC(O)=O)c1)c1ccccc1 |w:38.39| Show InChI InChI=1S/C36H46F2N4O7/c1-22(2)21-49-36(48)41-32(23(3)4)35(47)42-20-27(26-11-6-5-7-12-26)18-29(42)34(46)40-28(19-30(37)38)33(45)39-16-15-25-10-8-9-24(17-25)13-14-31(43)44/h5-14,17,22-23,27-30,32H,15-16,18-21H2,1-4H3,(H,39,45)(H,40,46)(H,41,48)(H,43,44)/t27-,28+,29+,32+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122891 (4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...) Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound for enzyme K136M				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50110119 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-[1-(3...) Show SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)c1nccs1 Show InChI InChI=1S/C47H57F2N7O13S/c1-26(57)51-34(25-38(62)63)45(68)52-31(18-20-37(60)61)43(66)56-40(39(28-13-7-3-8-14-28)29-15-9-4-10-16-29)46(69)53-30(17-19-36(58)59)42(65)55-33(23-27-11-5-2-6-12-27)44(67)54-32(24-35(48)49)41(64)47-50-21-22-70-47/h3-4,7-10,13-16,21-22,27,30-35,39-40H,2,5-6,11-12,17-20,23-25H2,1H3,(H,51,57)(H,52,68)(H,53,69)(H,54,67)(H,55,65)(H,56,66)(H,58,59)(H,60,61)(H,62,63)/t30-,31-,32-,33-,34-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM, MRL Rome Curated by ChEMBL					Assay Description Inhibition of hepatitis C virus (HCV) NS3/NS4A serine protease				Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122883 (3-Chloro-4-(2-{4,4-difluoro-2-[2-(2-isobutoxycarbo...) Show SMILES CC(C)COC(=O)NC(C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22?,24?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound for wild type NS3 protease				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122883 (3-Chloro-4-(2-{4,4-difluoro-2-[2-(2-isobutoxycarbo...) Show SMILES CC(C)COC(=O)NC(C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22?,24?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound for NS3 protease K136R				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122883 (3-Chloro-4-(2-{4,4-difluoro-2-[2-(2-isobutoxycarbo...) Show SMILES CC(C)COC(=O)NC(C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H43ClF2N4O7/c1-15(2)11-21(35-27(39)24(17(5)6)36-29(42)43-14-16(3)4)26(38)34-22(13-23(31)32)25(37)33-10-9-18-7-8-19(28(40)41)12-20(18)30/h7-8,12,15-17,21-24H,9-11,13-14H2,1-6H3,(H,33,37)(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t21-,22?,24?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound NS3 protease K136M				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150987 (4-[2-((S)-2-{[(R)-4-Benzyloxy-1-((S)-2-isobutoxyca...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C35H44F4N4O8/c1-19(2)17-51-35(49)42-30(20(3)4)33(46)43-16-23(50-18-21-8-6-5-7-9-21)14-28(43)32(45)41-27(15-29(38)39)31(44)40-11-10-24-25(36)12-22(34(47)48)13-26(24)37/h5-9,12-13,19-20,23,27-30H,10-11,14-18H2,1-4H3,(H,40,44)(H,41,45)(H,42,49)(H,47,48)/t23?,27-,28?,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50150987 (4-[2-((S)-2-{[(R)-4-Benzyloxy-1-((S)-2-isobutoxyca...) Show SMILES CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)OCc1ccccc1 Show InChI InChI=1S/C35H44F4N4O8/c1-19(2)17-51-35(49)42-30(20(3)4)33(46)43-16-23(50-18-21-8-6-5-7-9-21)14-28(43)32(45)41-27(15-29(38)39)31(44)40-11-10-24-25(36)12-22(34(47)48)13-26(24)37/h5-9,12-13,19-20,23,27-30H,10-11,14-18H2,1-4H3,(H,40,44)(H,41,45)(H,42,49)(H,47,48)/t23?,27-,28?,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease				Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound for enzyme NS3 protease wild-type				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Binding affinity for enzyme K136R				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Biinding affinity of the compound for enzyme K136M				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50122882 (4-(1-{1-[2-(2-Chloro-phenyl)-ethylcarbamoyl]-2-mer...) Show SMILES CC(C)C[C@H](NC(=O)C(CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C28H41ClF2N4O7/c1-16(2)14-20(33-25(39)19(10-11-23(36)37)35-27(41)42-28(3,4)5)26(40)34-21(15-22(30)31)24(38)32-13-12-17-8-6-7-9-18(17)29/h6-9,16,19-22H,10-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,37)/t19?,20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Binding affinity for enzyme human leukocyte HLE				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50122891 (4-(2-{2-[2-(4-Carboxy-2-isobutoxycarbonylamino-but...) Show SMILES CC(C)COC(=O)NC(CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NC(CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C29H41ClF2N4O9/c1-15(2)11-21(34-26(40)20(7-8-24(37)38)36-29(44)45-14-16(3)4)27(41)35-22(13-23(31)32)25(39)33-10-9-17-5-6-18(28(42)43)12-19(17)30/h5-6,12,15-16,20-23H,7-11,13-14H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)(H,36,44)(H,37,38)(H,42,43)/t20?,21-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MRL Rome Curated by ChEMBL					Assay Description Binding affinity for enzyme human leukocyte HLE				J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383051 (CHEMBL2031302) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C Show InChI InChI=1S/C19H16ClFN4O2/c1-3-18(26)25-16-8-12-15(9-17(16)27-4-2)22-10-23-19(12)24-11-5-6-14(21)13(20)7-11/h3,5-10H,1,4H2,2H3,(H,25,26)(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis				J Med Chem 55: 2251-64 (2012) Article DOI: 10.1021/jm201507x BindingDB Entry DOI: 10.7270/Q20K29M1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50383049 (CHEMBL2031300) Show SMILES CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1 Show InChI InChI=1S/C22H25BrN6O/c1-28-9-11-29(12-10-28)8-7-21(30)26-18-5-6-20-19(14-18)22(25-15-24-20)27-17-4-2-3-16(23)13-17/h2-6,13-15H,7-12H2,1H3,(H,26,30)(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate after 15 mins by time-resolved fluorimetric analysis				J Med Chem 55: 2251-64 (2012) Article DOI: 10.1021/jm201507x BindingDB Entry DOI: 10.7270/Q20K29M1
					More data for this Ligand-Target Pair

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