Compile Data Set for Download or QSAR

Found 1349 hits with Last Name = 'nair' and Initial = 'lg'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27048 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...) Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H54N6O7S/c1-11-13-17-25(30(45)33(47)39-19-12-2)40-32(46)29-28-24(38(28,9)10)21-44(29)34(48)31(37(6,7)8)42-35(49)41-27(36(3,4)5)22-43-20-23-16-14-15-18-26(23)52(43,50)51/h1,12,14-16,18,24-25,27-29,31H,2,13,17,19-22H2,3-10H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-52.5	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27043 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2H,3...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C38H58N6O7S2/c1-9-14-24(30(45)33(47)39-18-10-2)40-32(46)29-28-23(37(28,6)7)20-44(29)34(48)31(38(8)16-12-11-13-17-38)42-35(49)41-27(36(3,4)5)22-43-21-25-26(15-19-52-25)53(43,50)51/h10,15,19,23-24,27-29,31H,2,9,11-14,16-18,20-22H2,1,3-8H3,(H,39,47)(H,40,46)(H2,41,42,49)/t23-,24?,27+,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-49.5	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27039 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C37H56N6O7S/c1-11-15-24(29(44)32(46)38-18-12-2)39-31(45)28-27-23(37(27,9)10)20-43(28)33(47)30(36(6,7)8)41-34(48)40-26(35(3,4)5)21-42-19-22-16-13-14-17-25(22)51(42,49)50/h12-14,16-17,23-24,26-28,30H,2,11,15,18-21H2,1,3-10H3,(H,38,46)(H,39,45)(H2,40,41,48)/t23-,24?,26+,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-49.5	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27049 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...) Show SMILES CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C38H58N6O7S/c1-11-13-17-25(30(45)33(47)39-19-12-2)40-32(46)29-28-24(38(28,9)10)21-44(29)34(48)31(37(6,7)8)42-35(49)41-27(36(3,4)5)22-43-20-23-16-14-15-18-26(23)52(43,50)51/h12,14-16,18,24-25,27-29,31H,2,11,13,17,19-22H2,1,3-10H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-48.2	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27045 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2,3-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C40H60N6O7S/c1-9-16-27(32(47)35(49)41-21-10-2)42-34(48)31-30-26(39(30,6)7)23-46(31)36(50)33(40(8)19-14-11-15-20-40)44-37(51)43-29(38(3,4)5)24-45-22-25-17-12-13-18-28(25)54(45,52)53/h10,12-13,17-18,26-27,29-31,33H,2,9,11,14-16,19-24H2,1,3-8H3,(H,41,49)(H,42,48)(H2,43,44,51)/t26-,27?,29+,30-,31-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-48.2	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27033 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-1,2-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C34H58N6O7S/c1-11-15-22(26(41)29(43)35-16-12-2)36-28(42)25-24-21(34(24,9)10)19-40(25)30(44)27(33(6,7)8)38-31(45)37-23(32(3,4)5)20-39-17-13-14-18-48(39,46)47/h12,21-25,27H,2,11,13-20H2,1,3-10H3,(H,35,43)(H,36,42)(H2,37,38,45)/t21-,22?,23+,24-,25-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	-47.7	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27047 (4-cyclopropyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(...) Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H56N6O7S/c1-10-17-39-33(47)30(45)25(18-22-15-16-22)40-32(46)29-28-24(38(28,8)9)20-44(29)34(48)31(37(5,6)7)42-35(49)41-27(36(2,3)4)21-43-19-23-13-11-12-14-26(23)52(43,50)51/h10-14,22,24-25,27-29,31H,1,15-21H2,2-9H3,(H,39,47)(H,40,46)(H2,41,42,49)/t24-,25?,27+,28-,29-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-47.3	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27044 (3-{[(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-({[(2S)-1-(1...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C39H58N6O7S/c1-8-15-27(33(46)35(48)40-20-9-2)41-34(47)32-30-26(39(30,6)7)22-45(32)36(49)31(24-16-11-10-12-17-24)43-37(50)42-29(38(3,4)5)23-44-21-25-18-13-14-19-28(25)53(44,51)52/h9,13-14,18-19,24,26-27,29-32H,2,8,10-12,15-17,20-23H2,1,3-7H3,(H,40,48)(H,41,47)(H2,42,43,50)/t26-,27?,29+,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-47.3	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27037 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-2H,3...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C35H54N6O7S2/c1-11-13-21(27(42)30(44)36-15-12-2)37-29(43)26-25-20(35(25,9)10)17-41(26)31(45)28(34(6,7)8)39-32(46)38-24(33(3,4)5)19-40-18-22-23(14-16-49-22)50(40,47)48/h12,14,16,20-21,24-26,28H,2,11,13,15,17-19H2,1,3-10H3,(H,36,44)(H,37,43)(H2,38,39,46)/t20-,21?,24+,25-,26-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	10	-46.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27032 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-1,2-...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C33H56N6O7S/c1-11-14-21(25(40)28(42)34-15-12-2)35-27(41)24-23-20(33(23,9)10)18-39(24)29(43)26(32(6,7)8)37-30(44)36-22(31(3,4)5)19-38-16-13-17-47(38,45)46/h12,20-24,26H,2,11,13-19H2,1,3-10H3,(H,34,42)(H,35,41)(H2,36,37,44)/t20-,21?,22+,23-,24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	-46.2	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27042 (3-{[(1R,2S,5S)-3-[(2S)-2-cyclohexyl-2-({[(2S)-1-(1...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C37H56N6O7S2/c1-8-13-24(31(44)33(46)38-17-9-2)39-32(45)30-28-23(37(28,6)7)19-43(30)34(47)29(22-14-11-10-12-15-22)41-35(48)40-27(36(3,4)5)21-42-20-25-26(16-18-51-25)52(42,49)50/h9,16,18,22-24,27-30H,2,8,10-15,17,19-21H2,1,3-7H3,(H,38,46)(H,39,45)(H2,40,41,48)/t23-,24?,27+,28-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	14	-45.6	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27036 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-3,3-dimethyl-1-(6...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCN(C)S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C34H59N7O7S/c1-12-15-22(26(42)29(44)35-16-13-2)36-28(43)25-24-21(34(24,9)10)19-41(25)30(45)27(33(6,7)8)38-31(46)37-23(32(3,4)5)20-40-18-14-17-39(11)49(40,47)48/h13,21-25,27H,2,12,14-20H2,1,3-11H3,(H,35,44)(H,36,43)(H2,37,38,46)/t21-,22?,23+,24-,25-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	14	-45.6	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27041 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-3,3-dimethyl-1-(1...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1C(=O)c3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C37H54N6O8S/c1-11-15-23(28(44)31(46)38-18-12-2)39-30(45)27-26-22(37(26,9)10)19-42(27)33(48)29(36(6,7)8)41-34(49)40-25(35(3,4)5)20-43-32(47)21-16-13-14-17-24(21)52(43,50)51/h12-14,16-17,22-23,25-27,29H,2,11,15,18-20H2,1,3-10H3,(H,38,46)(H,39,45)(H2,40,41,49)/t22-,23?,25+,26-,27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	15	-45.4	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27040 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(1S)-1-cyclohexyl-2-(1...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C1CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C39H58N6O7S/c1-8-15-27(32(46)35(48)40-20-9-2)41-34(47)31-30-26(39(30,6)7)22-45(31)36(49)33(38(3,4)5)43-37(50)42-28(24-16-11-10-12-17-24)23-44-21-25-18-13-14-19-29(25)53(44,51)52/h9,13-14,18-19,24,26-28,30-31,33H,2,8,10-12,15-17,20-23H2,1,3-7H3,(H,40,48)(H,41,47)(H2,42,43,50)/t26-,27?,28+,30-,31-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	18	-44.9	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27034 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(1S)-1-cyclohexyl-2-(1...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCS1(=O)=O)C1CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C36H60N6O7S/c1-8-15-25(29(43)32(45)37-18-9-2)38-31(44)28-27-24(36(27,6)7)21-42(28)33(46)30(35(3,4)5)40-34(47)39-26(23-16-11-10-12-17-23)22-41-19-13-14-20-50(41,48)49/h9,23-28,30H,2,8,10-22H2,1,3-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t24-,25?,26+,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30	-43.7	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27046 (4-cyclobutyl-3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1...) Show SMILES CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r| Show InChI InChI=1S/C39H58N6O7S/c1-10-18-40-34(48)31(46)26(19-23-14-13-15-23)41-33(47)30-29-25(39(29,8)9)21-45(30)35(49)32(38(5,6)7)43-36(50)42-28(37(2,3)4)22-44-20-24-16-11-12-17-27(24)53(44,51)52/h10-12,16-17,23,25-26,28-30,32H,1,13-15,18-22H2,2-9H3,(H,40,48)(H,41,47)(H2,42,43,50)/t25-,26?,28+,29-,30-,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	30	-43.7	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27038 (3-{[(1R,2S,5S)-3-[(2S)-2-[({1-[(1,1-dioxo-2H,3H-1,...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CN3Cc4sccc4S3(=O)=O)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C36H54N6O7S2/c1-8-13-23(28(43)31(45)37-17-9-2)38-30(44)27-26-22(35(26,6)7)19-42(27)32(46)29(34(3,4)5)39-33(47)40-36(15-11-10-12-16-36)21-41-20-24-25(14-18-50-24)51(41,48)49/h9,14,18,22-23,26-27,29H,2,8,10-13,15-17,19-21H2,1,3-7H3,(H,37,45)(H,38,44)(H2,39,40,47)/t22-,23?,26-,27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	41	-42.9	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM27035 (3-{[(1R,2S,5S)-3-[(2S)-2-({[(2S)-1-(1,1-dioxo-1,2,...) Show SMILES CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCNS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r| Show InChI InChI=1S/C33H57N7O7S/c1-11-14-21(25(41)28(43)34-15-12-2)36-27(42)24-23-20(33(23,9)10)18-40(24)29(44)26(32(6,7)8)38-30(45)37-22(31(3,4)5)19-39-17-13-16-35-48(39,46)47/h12,20-24,26,35H,2,11,13-19H2,1,3-10H3,(H,34,43)(H,36,42)(H2,37,38,45)/t20-,21?,22+,23-,24-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	59	-42.0	n/a	n/a	n/a	n/a	n/a	6.5	30
Schering-Plough Research Institute					Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...				Bioorg Med Chem Lett 19: 1105-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.111 BindingDB Entry DOI: 10.7270/Q22B8WBZ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227653 (3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2c(F)cccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.31,.64,;4.08,-.7,;4.85,.64,;4.08,1.97,;3.31,3.3,;1.77,3.3,;4.08,4.64,;5.62,4.64,;6.39,3.3,;5.62,1.97,;6.39,.64,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.156	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227651 (6-(5-chloropyridin-3-yl)- 8-[1-fluoro-1-(2- fluoro...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)C(O)=O)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(6.57,-3.25,;5.09,-2.85,;4.69,-1.36,;3.2,-.96,;2.11,-2.05,;.62,-1.65,;.23,-.17,;1.13,1.08,;.23,2.33,;-1.24,1.85,;-2.57,2.62,;-3.91,1.85,;-3.91,.31,;-2.57,-.46,;-2.57,-2,;-1.24,-2.77,;-1.24,-4.31,;-2.57,-5.08,;-3.91,-4.31,;-5.24,-5.08,;-3.91,-2.77,;-1.24,.31,;-5.24,2.62,;-6.57,1.85,;-5.24,4.16,;2.8,1.08,;3.57,-.25,;4.34,1.08,;3.57,2.41,;5.11,2.41,;5.88,3.75,;5.11,5.08,;3.57,5.08,;2.8,3.75,;1.26,3.75,;2.51,-3.54,;4,-3.94,)| Show InChI InChI=1S/C27H26ClF2N5O2/c1-15-7-9-16(10-8-15)14-35-22-21(17-11-18(28)13-31-12-17)32-24(25(36)37)33-23(22)34-26(35)27(2,30)19-5-3-4-6-20(19)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,36,37)/t15-,16-,27?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.176	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223046 (6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)| Show InChI InChI=1S/C30H40N6O3/c1-19-11-13-21(14-12-19)17-36-25-26(31-20(2)22-9-6-10-22)32-28(29(37)38)33-27(25)34-30(36)35-15-16-39-18-24(35)23-7-4-3-5-8-23/h3-5,7-8,19-22,24H,6,9-18H2,1-2H3,(H,37,38)(H,31,32,33)/t19-,20-,21-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.202	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224125 (3-{6-[3-chloro-5- (hydroxymethyl)phen- yl]-7-[(tra...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cc(CO)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,35.40,(7.86,-3.92,;6.37,-3.52,;5.98,-2.03,;4.49,-1.63,;3.4,-2.72,;1.91,-2.32,;1.51,-.83,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;-2.62,-3.44,;-2.62,-4.98,;-3.95,-5.75,;-1.28,-5.75,;.05,-4.98,;1.38,-5.75,;2.72,-4.98,;.05,-3.44,;.05,-.36,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;3.96,.41,;4.73,-.92,;6.27,-.92,;7.04,.41,;6.27,1.75,;4.73,1.75,;3.96,3.08,;4.73,4.41,;3.96,5.75,;2.42,5.75,;1.65,4.41,;2.42,3.08,;3.8,-4.21,;5.29,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.205	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224261 (3-{8-[(2r)-4-acetyl- 2-phenylpiperazin-1- yl]-6-{[...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCN(C[C@H]3c3ccccc3)C(C)=O)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,27.28,wD:30.32,15.16,(-5.47,-1.96,;-4.13,-2.73,;-2.8,-1.96,;-2.8,-.42,;-4.13,.35,;-4.13,1.89,;-2.8,2.66,;-1.46,1.89,;0,2.36,;.91,1.12,;2.45,1.12,;3.22,-.22,;4.76,-.22,;5.53,1.12,;4.76,2.45,;3.22,2.45,;2.45,3.78,;3.22,5.12,;2.45,6.45,;.91,6.45,;.14,5.12,;.91,3.78,;7.07,1.12,;7.84,2.45,;7.84,-.22,;0,-.13,;.4,-1.62,;1.89,-2.02,;2.98,-.93,;4.46,-1.32,;4.86,-2.81,;6.35,-3.21,;3.77,-3.9,;2.28,-3.5,;-1.46,.35,;-5.47,2.66,;-6.93,2.18,;-7.84,3.43,;-6.93,4.67,;-7.7,6.01,;-5.47,4.2,;-4.13,-4.27,;-5.22,-5.36,;-4.13,-6.45,;-3.04,-5.36,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.215	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227665 (5-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2c(F)cccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;3.19,3.3,;1.65,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.289	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227683 (3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(3- flu...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-3.39,-3.21,;-3.39,-4.75,;-2.05,-5.52,;-.72,-4.75,;.61,-5.52,;-.72,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.315	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223705 (3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8- (hexahyd...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,21.22,wD:24.26,(-4.51,-1.47,;-3.18,-2.24,;-1.85,-1.47,;-1.85,.07,;-3.18,.84,;-3.18,2.38,;-1.85,3.15,;-.51,2.38,;.95,2.86,;1.86,1.61,;3.4,1.61,;4.17,.28,;5.71,.28,;6.48,1.61,;5.71,2.95,;6.18,4.41,;4.94,5.32,;3.69,4.41,;4.17,2.95,;.95,.37,;1.35,-1.12,;2.84,-1.52,;3.93,-.43,;5.41,-.83,;5.81,-2.31,;7.3,-2.71,;4.72,-3.4,;3.24,-3,;-.51,.84,;-4.51,3.15,;-5.76,2.25,;-7.01,3.15,;-6.53,4.62,;-7.3,5.95,;-4.99,4.62,;-3.18,-3.78,;-4.27,-4.86,;-3.18,-5.95,;-2.09,-4.86,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.344	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227669 (5-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(3- flu...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.73,.64,;3.96,-.7,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.359	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223402 (6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCCC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-5.24,-1.96,;-3.91,-2.73,;-2.57,-1.96,;-2.57,-.42,;-3.91,.35,;-3.91,1.89,;-2.57,2.66,;-1.24,1.89,;.23,2.36,;1.13,1.12,;2.67,1.12,;3.44,-.22,;4.98,-.22,;5.75,1.12,;4.98,2.45,;3.44,2.45,;2.67,3.78,;3.44,5.12,;2.67,6.45,;1.13,6.45,;.36,5.12,;1.13,3.78,;.23,-.13,;.62,-1.62,;2.11,-2.02,;2.51,-3.5,;4,-3.9,;5.09,-2.81,;6.57,-3.21,;4.69,-1.32,;3.2,-.93,;-1.24,.35,;-5.24,2.66,;-6.57,1.89,;-5.24,4.2,;-3.91,-4.27,;-5,-5.36,;-3.91,-6.45,;-2.82,-5.36,)| Show InChI InChI=1S/C31H42N6O2/c1-20-14-16-22(17-15-20)19-37-26-27(32-21(2)23-11-8-12-23)33-29(30(38)39)34-28(26)35-31(37)36-18-7-6-13-25(36)24-9-4-3-5-10-24/h3-5,9-10,20-23,25H,6-8,11-19H2,1-2H3,(H,38,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.381	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM226428 (3-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- flu...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.424	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227696 (2-{1-[6-(5-chloropyridin- 3-yl)-7-[(trans-4- methy...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1ccccc1C#N |r,wU:24.27,wD:21.23,(5.86,.64,;4.52,-.13,;3.19,.64,;2.42,-.7,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.03,-3.98,;4.52,-4.38,;5.6,-3.29,;7.09,-3.69,;5.21,-1.81,;3.72,-1.41,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;.11,3.3,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.435	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227678 (3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1c(F)cccc1F |r,wU:21.23,wD:24.27,(4.93,-1.67,;4.93,-.13,;3.6,.64,;3.6,-.9,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;4.37,1.97,;3.6,3.3,;2.06,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.452	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM226426 (5-{6-(5-chloropyridin-3- yl)-8-[1-fluoro-1-(2- flu...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)C(C)(F)c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;4.73,.64,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.453	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224176 (5-{6-(5- chloropyridin-3-yl)- 8-[(3r)-3-(2- fluoro...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;5.5,4.41,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.494	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224216 (3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@H](C)[C@H]2c2ccccc2)CC1 |r,wU:4.4,32.36,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;6.27,3.08,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.504	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223681 (3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[2-(1-met...) Show SMILES COC(C)(C)C1CCCN1c1nc2nc(nc(N[C@H](C)C3CCC3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:18.19,30.34,wD:27.30,(3.53,6.41,;4.3,5.07,;3.53,3.74,;1.99,3.74,;2.76,5.07,;4.3,2.41,;5.77,1.93,;5.77,.39,;4.3,-.09,;3.4,1.16,;1.86,1.16,;.95,2.41,;-.51,1.93,;-1.85,2.7,;-3.18,1.93,;-3.18,.39,;-1.85,-.38,;-1.85,-1.92,;-3.18,-2.69,;-4.51,-1.92,;-3.18,-4.23,;-4.27,-5.32,;-3.18,-6.41,;-2.09,-5.32,;-.51,.39,;.95,-.09,;1.35,-1.57,;2.84,-1.97,;3.24,-3.46,;4.72,-3.86,;5.81,-2.77,;7.3,-3.17,;5.41,-1.28,;3.93,-.88,;-4.51,2.7,;-5.76,1.8,;-7.01,2.7,;-6.53,4.17,;-7.3,5.5,;-4.99,4.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.507	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227695 (2-{1-[6-(5-chloropyridin- 3-yl)-7-[(trans-4- methy...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ccccc2C#N)CC1 |r,wU:1.0,wD:4.4,(7.09,-3.69,;5.6,-3.29,;4.52,-4.38,;3.03,-3.98,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.52,-.13,;2.42,-.7,;3.96,1.97,;3.19,3.3,;3.96,4.64,;5.5,4.64,;6.27,3.3,;5.5,1.97,;6.27,.64,;7.04,-.7,;3.72,-1.41,;5.21,-1.81,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.515	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224107 (3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.517	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM221499 (6-{[(1r)-1- cyclobutylethyl]amino}- 8-[(1-pyridin-...) Show SMILES C[C@@H](Nc1nc(nc2nc(NC(C)c3ccccn3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1 |r| Show InChI InChI=1S/C27H28F3N7O2/c1-15(18-6-5-7-18)32-22-21-23(35-24(34-22)25(38)39)36-26(33-16(2)20-8-3-4-13-31-20)37(21)14-17-9-11-19(12-10-17)27(28,29)30/h3-4,8-13,15-16,18H,5-7,14H2,1-2H3,(H,38,39)(H2,32,33,34,35,36)/t15-,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.526	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224295 (6-{[(1r)-1-cyclobutylethyl]amino}- 7-[(trans-4-eth...) Show SMILES CC[C@H]1CC[C@H](Cn2c(nc3nc(nc(N[C@H](C)C4CCC4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:16.16,5.5,wD:2.1,31.35,(7.12,-2.12,;6.03,-3.21,;4.54,-2.81,;4.14,-1.32,;2.66,-.93,;1.57,-2.02,;.08,-1.62,;-.32,-.13,;.59,1.12,;-.32,2.36,;-1.78,1.89,;-3.12,2.66,;-4.45,1.89,;-4.45,.35,;-3.12,-.42,;-3.12,-1.96,;-4.45,-2.73,;-5.78,-1.96,;-4.45,-4.27,;-5.54,-5.36,;-4.45,-6.45,;-3.36,-5.36,;-1.78,.35,;-5.78,2.66,;-7.12,1.89,;-5.78,4.2,;2.13,1.12,;2.9,-.22,;4.44,-.22,;5.21,1.12,;4.44,2.45,;2.9,2.45,;2.13,3.78,;2.9,5.12,;2.13,6.45,;.59,6.45,;-.18,5.12,;.59,3.78,;1.97,-3.5,;3.45,-3.9,)| Show InChI InChI=1S/C31H42N6O3/c1-3-21-12-14-22(15-13-21)18-37-26-27(32-20(2)23-10-7-11-23)33-29(30(38)39)34-28(26)35-31(37)36-16-17-40-19-25(36)24-8-5-4-6-9-24/h4-6,8-9,20-23,25H,3,7,10-19H2,1-2H3,(H,38,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.548	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224851 (3-(6-{[(1r)-1- cyclobutylethyl]amino}-8-[1- fluoro...) Show SMILES C[C@@H](Nc1nc(nc2nc(n(C[C@H]3CC[C@H](C)CC3)c12)C(C)(F)c1ccccc1F)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,15.15,wD:12.11,(-4.72,-1.82,;-3.39,-2.59,;-2.05,-1.82,;-2.05,-.28,;-3.39,.49,;-3.39,2.03,;-2.05,2.8,;-.72,2.03,;.74,2.51,;1.65,1.26,;.74,.02,;1.14,-1.47,;2.63,-1.87,;3.03,-3.36,;4.52,-3.76,;5.6,-2.67,;7.09,-3.07,;5.21,-1.18,;3.72,-.78,;-.72,.49,;3.19,1.26,;4.52,.49,;3.19,-.28,;3.96,2.6,;5.5,2.6,;6.27,3.93,;5.5,5.26,;3.96,5.26,;3.19,3.93,;1.65,3.93,;-4.72,2.8,;-6.19,2.33,;-7.09,3.57,;-6.19,4.82,;-6.59,6.31,;-4.72,4.34,;-3.39,-4.13,;-4.48,-5.22,;-3.39,-6.31,;-2.3,-5.22,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.563	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223674 (3-{8-[3-(2- chlorophenyl)morph- olin-4-yl]-6-{[(1r...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOCC3c3ccccc3Cl)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:25.26,1.0,wD:28.30,(-4.39,-1.96,;-3.06,-2.73,;-1.72,-1.96,;-1.72,-.42,;-3.06,.35,;-3.06,1.89,;-1.72,2.66,;-.39,1.89,;1.07,2.36,;1.98,1.12,;3.52,1.12,;4.29,-.22,;5.83,-.22,;6.6,1.12,;5.83,2.45,;4.29,2.45,;3.52,3.78,;1.98,3.78,;1.21,5.12,;1.98,6.45,;3.52,6.45,;4.29,5.12,;5.83,5.12,;1.07,-.13,;1.84,-1.46,;3.18,-2.23,;4.51,-1.46,;5.84,-2.23,;5.84,-3.77,;7.18,-4.54,;4.51,-4.54,;3.18,-3.77,;-.39,.35,;-4.39,2.66,;-5.64,1.75,;-6.88,2.66,;-6.41,4.12,;-7.18,5.45,;-4.87,4.12,;-3.06,-4.27,;-4.15,-5.36,;-3.06,-6.45,;-1.97,-5.36,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.568	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224214 (5-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2n[nH]c(=O)o2)N2CCO[C@H](C)[C@H]2c2ccccc2)CC1 |r,wU:4.4,32.36,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;6.27,3.08,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.569	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224173 (3-{6-(5- chloropyridin-3-yl)- 8-[(3r)-3-(2- fluoro...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2F)CC1 |r,wU:4.4,wD:1.0,33.38,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;1.65,3.08,;.88,4.41,;1.65,5.75,;3.19,5.75,;3.96,4.41,;5.5,4.41,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.585	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223756 (6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(=O)NS(C)(=O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-3.91,-1.96,;-2.57,-2.73,;-1.24,-1.96,;-1.24,-.42,;-2.57,.35,;-2.57,1.89,;-1.24,2.66,;.09,1.89,;1.56,2.36,;2.46,1.12,;4,1.12,;4.77,-.22,;6.31,-.22,;7.08,1.12,;6.31,2.45,;4.77,2.45,;4,3.78,;4.77,5.12,;4,6.45,;2.46,6.45,;1.69,5.12,;2.46,3.78,;1.56,-.13,;1.96,-1.62,;3.45,-2.02,;3.84,-3.5,;5.33,-3.9,;6.42,-2.81,;7.91,-3.21,;6.02,-1.32,;4.53,-.93,;.09,.35,;-3.91,2.66,;-3.91,4.2,;-5.24,1.89,;-6.57,2.66,;-7.91,1.89,;-7.34,3.99,;-5.8,3.99,;-2.57,-4.27,;-3.66,-5.36,;-2.57,-6.45,;-1.48,-5.36,)| Show InChI InChI=1S/C31H43N7O4S/c1-20-12-14-22(15-13-20)18-38-26-27(32-21(2)23-10-7-11-23)33-29(30(39)36-43(3,40)41)34-28(26)35-31(38)37-16-17-42-19-25(37)24-8-5-4-6-9-24/h4-6,8-9,20-23,25H,7,10-19H2,1-3H3,(H,36,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.585	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224155 (3-{6-(5- chloropyridin-3-yl)- 7-[(trans-4- methylc...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCC[C@H]2C(F)(F)F)CC1 |r,wU:4.4,wD:1.0,32.37,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;4.09,-.61,;5.56,-.13,;5.56,1.41,;4.09,1.88,;3.32,3.21,;2.55,4.55,;1.99,2.44,;4.66,3.98,;3.03,-3.98,;4.52,-4.38,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.585	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227673 (5-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1c(F)cccc1F |r,wU:21.23,wD:24.27,(4.93,-1.67,;4.93,-.13,;3.6,.64,;3.6,-.9,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;4.37,1.97,;3.6,3.3,;2.06,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.598	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224239 (3-{6-(5-chloro-2- methylpyridin-3-yl)- 7-[(trans-4...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cnc4C)c23)-c2noc(=O)[nH]2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;.61,-5.75,;-2.05,-5.75,;-3.39,-4.98,;-3.39,-3.44,;-4.72,-2.67,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.601	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM224288 (5-(6-(5-chloropyridin-3-yl)-7-(1- ((trans)-4-methy...) Show SMILES CC([C@H]1CC[C@H](C)CC1)n1c(nc2nc(nc(-c3cncc(Cl)c3)c12)-c1n[nH]c(=O)o1)N1CCOC[C@H]1c1ccccc1 |r,wU:5.5,wD:36.42,2.1,(.05,-3.41,;1.14,-2.32,;2.63,-2.72,;3.03,-4.21,;4.52,-4.61,;5.6,-3.52,;7.09,-3.92,;5.21,-2.03,;3.72,-1.63,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;-2.05,-5.75,;-3.39,-4.98,;-4.72,-5.75,;-3.39,-3.44,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.59,5.46,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM227658 (5-{8-[1-(3-chloro-2- fluorophenyl)-1- methoxyethyl...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1cccc(Cl)c1F |r,wU:21.23,wD:24.27,(6.39,-.92,;5.62,.41,;4.08,.41,;4.85,-.92,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;.05,-3.44,;.05,-4.98,;-1.28,-5.75,;-2.62,-4.98,;-3.95,-5.75,;-2.62,-3.44,;.05,-.36,;1.51,-.83,;1.91,-2.32,;3.4,-2.72,;4.49,-1.63,;5.98,-2.03,;6.37,-3.52,;7.86,-3.92,;5.29,-4.61,;3.8,-4.21,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;4.85,1.75,;6.39,1.75,;7.16,3.08,;6.39,4.41,;4.85,4.41,;4.08,5.75,;4.08,3.08,;2.54,3.08,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.623	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125] (Homo sapiens (Human))	BDBM223200 (3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,27.29,wD:15.16,24.25,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;4.17,2.45,;3.4,3.78,;4.17,5.12,;3.4,6.45,;1.86,6.45,;1.09,5.12,;1.86,3.78,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.24,-3.5,;4.72,-3.9,;5.81,-2.81,;7.3,-3.21,;5.41,-1.32,;3.93,-.93,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.626	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 with re...				US Patent US9540377 (2017) BindingDB Entry DOI: 10.7270/Q2RF5X1F
					More data for this Ligand-Target Pair

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