Compile Data Set for Download or QSAR

Found 2361 hits with Last Name = 'babine' and Initial = 'r'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282079 ((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C49H60N8O5/c1-5-31(3)44(48(61)50-29-42-52-38-21-13-14-22-39(38)53-42)56-46(59)35(25-33-17-9-7-10-18-33)27-37(58)28-36(26-34-19-11-8-12-20-34)47(60)57-45(32(4)6-2)49(62)51-30-43-54-40-23-15-16-24-41(40)55-43/h7-24,31-32,35-37,44-45,58H,5-6,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,53)(H,54,55)(H,56,59)(H,57,60)/t31-,32-,35+,36+,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against HIV-1 protease using [125I]-SPA (scintillation proximity assay)				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Genome polyprotein (Human rhinovirus B)	BDBM50065621 (CHEMBL94688 | [(S)-1-((S)-1-{(S)-3-Carbamoyl-1-[2-...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)\C=C1/CCCOC1=O Show InChI InChI=1S/C33H42N4O7/c1-22(2)18-27(37-33(42)44-21-24-12-7-4-8-13-24)31(40)36-28(19-23-10-5-3-6-11-23)30(39)35-26(15-16-29(34)38)20-25-14-9-17-43-32(25)41/h3-8,10-13,20,22,26-28H,9,14-19,21H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,37,42)/b25-20+/t26-,27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD 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
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Catalytic rate constant (Kobs/[I]) of the compound was evaluated against human rhinovirus (HRV) serotype 14 3C Protease (3CP)				J Med Chem 41: 2806-18 (1998) Article DOI: 10.1021/jm980068d BindingDB Entry DOI: 10.7270/Q29G5KZQ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288762 ((1S,10R)-14-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-ace...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCCOC2=O Show InChI InChI=1S/C22H27NO9/c1-28-16-11-13(12-17(29-2)19(16)30-3)18(24)20(25)23-14-7-6-8-15(23)22(27)32-10-5-4-9-31-21(14)26/h11-12,14-15H,4-10H2,1-3H3/t14-,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288763 ((1S,9R)-5-Benzyloxymethyl-13-[2-oxo-2-(3,4,5-trime...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(COCc1ccccc1)COC2=O Show InChI InChI=1S/C29H33NO10/c1-35-23-12-20(13-24(36-2)26(23)37-3)25(31)27(32)30-21-10-7-11-22(30)29(34)40-17-19(16-39-28(21)33)15-38-14-18-8-5-4-6-9-18/h4-6,8-9,12-13,19,21-22H,7,10-11,14-17H2,1-3H3/t19?,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288765 ((1S,9R)-5-(tert-Butyl-dimethyl-silanyloxymethyl)-1...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO[Si](C)(C)C(C)(C)C)COC2=O Show InChI InChI=1S/C28H41NO10Si/c1-28(2,3)40(7,8)39-16-17-14-37-26(32)19-10-9-11-20(27(33)38-15-17)29(19)25(31)23(30)18-12-21(34-4)24(36-6)22(13-18)35-5/h12-13,17,19-20H,9-11,14-16H2,1-8H3/t17?,19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288764 ((1S,9R)-13-[2-((1S,2R,5R)-1-Hydroxy-5-isopropyl-2-...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O Show InChI InChI=1S/C22H33NO7/c1-13(2)15-9-8-14(3)22(28,12-15)18(24)19(25)23-16-6-4-7-17(23)21(27)30-11-5-10-29-20(16)26/h13-17,28H,4-12H2,1-3H3/t14-,15-,16-,17+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288768 ((1R,10S)-14-(3,3-Dimethyl-2-oxo-pentanoyl)-3,8-dio...) Show SMILES CCC(C)(C)C(=O)C(=O)N1C2CCCC1C(=O)OCCCCOC2=O Show InChI InChI=1S/C18H27NO6/c1-4-18(2,3)14(20)15(21)19-12-8-7-9-13(19)17(23)25-11-6-5-10-24-16(12)22/h12-13H,4-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288767 ((1R,9S)-13-(3,3-Dimethyl-2-oxo-pentanoyl)-3,7-diox...) Show SMILES CCC(C)(C)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCCCOC2=O Show InChI InChI=1S/C17H25NO6/c1-4-17(2,3)13(19)14(20)18-11-7-5-8-12(18)16(22)24-10-6-9-23-15(11)21/h11-12H,4-10H2,1-3H3/t11-,12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288766 ((1S,9R)-13-{2-[(1S,2R,5R)-1-Hydroxy-5-(2-methoxy-1...) Show SMILES COCC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1[C@@H]2CCC[C@H]1C(=O)OCC(CO)COC2=O Show InChI InChI=1S/C24H37NO9/c1-14(11-32-3)17-8-7-15(2)24(31,9-17)20(27)21(28)25-18-5-4-6-19(25)23(30)34-13-16(10-26)12-33-22(18)29/h14-19,26,31H,4-13H2,1-3H3/t14?,15-,16?,17-,18-,19+,24+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50288769 ((S)-1-[2-((1S,2R,5R)-1-Hydroxy-5-isopropyl-2-methy...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)[C@@](O)(C1)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H35NO5/c1-17(2)20-13-12-18(3)25(30,15-20)22(27)23(28)26-14-8-7-11-21(26)24(29)31-16-19-9-5-4-6-10-19/h4-6,9-10,17-18,20-21,30H,7-8,11-16H2,1-3H3/t18-,20-,21+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against human FKBP-12 rotamase				Bioorg Med Chem Lett 6: 385-390 (1996) Article DOI: 10.1016/0960-894X(96)00032-7 BindingDB Entry DOI: 10.7270/Q2862GFJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282079 ((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C49H60N8O5/c1-5-31(3)44(48(61)50-29-42-52-38-21-13-14-22-39(38)53-42)56-46(59)35(25-33-17-9-7-10-18-33)27-37(58)28-36(26-34-19-11-8-12-20-34)47(60)57-45(32(4)6-2)49(62)51-30-43-54-40-23-15-16-24-41(40)55-43/h7-24,31-32,35-37,44-45,58H,5-6,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,53)(H,54,55)(H,56,59)(H,57,60)/t31-,32-,35+,36+,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282083 ((S)-2-((S)-2-{(2R,6R)-2-Benzyl-4-hydroxy-6-[(S)-1-...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)Cc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C43H64N4O9/c1-25(2)34(40(51)46-36(27(5)6)42(53)55-9)44-38(49)31(21-29-17-13-11-14-18-29)23-33(48)24-32(22-30-19-15-12-16-20-30)39(50)45-35(26(3)4)41(52)47-37(28(7)8)43(54)56-10/h11-20,25-28,31-37,48H,21-24H2,1-10H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t31-,32-,34+,35+,36+,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282077 ((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-(...) Show SMILES CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C37H68N4O9/c1-13-15-17-25(32(43)38-28(21(3)4)34(45)40-30(23(7)8)36(47)49-11)19-27(42)20-26(18-16-14-2)33(44)39-29(22(5)6)35(46)41-31(24(9)10)37(48)50-12/h21-31,42H,13-20H2,1-12H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t25-,26-,28+,29+,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C32H41BrN8O5S/c1-18(2)26(29(45)39-24(5-4-14-37-31(34)35)27(43)30-36-15-16-47-30)41-28(44)25(17-20-6-12-23(42)13-7-20)40-32(46)38-19(3)21-8-10-22(33)11-9-21/h6-13,15-16,18-19,24-26,42H,4-5,14,17H2,1-3H3,(H,39,45)(H,41,44)(H4,34,35,37)(H2,38,40,46)/t19-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12973 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12974 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C27H38BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12968 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H45BrN8O4S/c1-18(2)24(27(42)38-23(10-7-15-36-30(33)34)26(41)29-35-16-17-45-29)39-28(43)25(21-8-5-4-6-9-21)40-31(44)37-19(3)20-11-13-22(32)14-12-20/h11-14,16-19,21,23-25H,4-10,15H2,1-3H3,(H,38,42)(H,39,43)(H4,33,34,36)(H2,37,40,44)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282076 ((S)-2-((S)-2-{(2R,6R)-2-Benzyl-4-hydroxy-6-[(S)-1-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)Cc1ccccc1)C(C)C Show InChI InChI=1S/C51H64N4O9/c1-33(2)44(48(59)52-42(50(61)63-5)29-37-23-15-9-16-24-37)54-46(57)39(27-35-19-11-7-12-20-35)31-41(56)32-40(28-36-21-13-8-14-22-36)47(58)55-45(34(3)4)49(60)53-43(51(62)64-6)30-38-25-17-10-18-26-38/h7-26,33-34,39-45,56H,27-32H2,1-6H3,(H,52,59)(H,53,60)(H,54,57)(H,55,58)/t39-,40-,42+,43+,44+,45+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12962 ((2S)-2-({[1-(4-bromophenyl)ethyl]carbamoyl}amino)-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H43BrN8O4S/c1-16(2)15-22(37-29(42)35-18(5)19-8-10-20(30)11-9-19)25(40)38-23(17(3)4)26(41)36-21(7-6-12-34-28(31)32)24(39)27-33-13-14-43-27/h8-11,13-14,16-18,21-23H,6-7,12,15H2,1-5H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t18?,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282087 ((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1nc2ccccc2[nH]1)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C47H56N8O5/c1-29(2)42(46(59)48-27-40-50-36-19-11-12-20-37(36)51-40)54-44(57)33(23-31-15-7-5-8-16-31)25-35(56)26-34(24-32-17-9-6-10-18-32)45(58)55-43(30(3)4)47(60)49-28-41-52-38-21-13-14-22-39(38)53-41/h5-22,29-30,33-35,42-43,56H,23-28H2,1-4H3,(H,48,59)(H,49,60)(H,50,51)(H,52,53)(H,54,57)(H,55,58)/t33-,34-,42+,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12977 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40BrN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50145722 ((S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-y...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor alpha				Bioorg Med Chem Lett 14: 6113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.031 BindingDB Entry DOI: 10.7270/Q2QN67J1
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12970 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40FN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12975 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1 |r,wU:7.19,34.36,22.24,wD:3.3,(-2.47,-.39,;-1.14,.38,;.19,-.39,;-1.14,1.92,;-2.47,2.69,;-3.81,1.92,;-3.81,.38,;-5.14,2.69,;-5.14,4.23,;-5.54,5.72,;-4.62,6.96,;-5.52,8.21,;-6.99,7.75,;-8.31,8.53,;-9.65,7.77,;-9.67,6.23,;-8.34,5.45,;-7,6.21,;-6.47,1.92,;-7.81,2.69,;-7.81,4.23,;-9.14,1.92,;-10.48,2.69,;-10.48,4.23,;-11.81,1.92,;-13.14,2.69,;-14.48,1.92,;-14.48,.38,;-15.81,-.39,;-13.14,-.39,;-11.81,.38,;.19,2.69,;.19,4.23,;1.53,1.92,;2.86,2.69,;2.86,4.23,;4.19,5,;4.19,6.54,;2.86,7.31,;2.86,8.85,;4.19,9.62,;1.53,9.62,;4.19,1.92,;4.19,.38,;5.53,2.69,;7.07,2.69,;7.54,4.16,;6.3,5.06,;5.05,4.16,)| Show InChI InChI=1S/C34H42BrN9O4S/c1-19(2)28(31(47)42-26(9-6-14-39-33(36)37)29(45)32-38-15-16-49-32)44-30(46)27(17-22-18-40-25-8-5-4-7-24(22)25)43-34(48)41-20(3)21-10-12-23(35)13-11-21/h4-5,7-8,10-13,15-16,18-20,26-28,40H,6,9,14,17H2,1-3H3,(H,42,47)(H,44,46)(H4,36,37,39)(H2,41,43,48)/t20-,26+,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12976 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282098 (1-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazol-2-ylmethyl)...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCCCC1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C36H52N6O4/c1-6-24(2)32(35(46)37-22-31-38-28-16-10-11-17-29(28)39-31)40-33(44)26(20-25-14-8-7-9-15-25)21-27(43)23-42-19-13-12-18-30(42)34(45)41-36(3,4)5/h7-11,14-17,24,26-27,30,32,43H,6,12-13,18-23H2,1-5H3,(H,37,46)(H,38,39)(H,40,44)(H,41,45)/t24-,26+,27?,30?,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282081 ((S)-2-((S)-2-{(2R,6R)-2-Benzyl-4-hydroxy-6-[(S)-1-...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)Cc1ccccc1 Show InChI InChI=1S/C53H68N4O9/c1-35(2)27-44(50(61)56-46(52(63)65-5)31-39-23-15-9-16-24-39)54-48(59)41(29-37-19-11-7-12-20-37)33-43(58)34-42(30-38-21-13-8-14-22-38)49(60)55-45(28-36(3)4)51(62)57-47(53(64)66-6)32-40-25-17-10-18-26-40/h7-26,35-36,41-47,58H,27-34H2,1-6H3,(H,54,59)(H,55,60)(H,56,61)(H,57,62)/t41-,42-,44+,45+,46+,47+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282097 ((3S,4aS,8aS)-2-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazo...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)CC(O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C37H60N6O4/c1-8-24(4)33(36(47)38-20-32-39-29-15-11-12-16-30(29)40-32)41-34(45)27(17-23(2)3)18-28(44)22-43-21-26-14-10-9-13-25(26)19-31(43)35(46)42-37(5,6)7/h11-12,15-16,23-28,31,33,44H,8-10,13-14,17-22H2,1-7H3,(H,38,47)(H,39,40)(H,41,45)(H,42,46)/t24-,25-,26+,27+,28?,31-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50403197 (CHEMBL2115378) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H58N6O4/c1-6-26(2)36(39(50)41-23-35-42-32-18-12-13-19-33(32)43-35)44-37(48)30(20-27-14-8-7-9-15-27)21-31(47)25-46-24-29-17-11-10-16-28(29)22-34(46)38(49)45-40(3,4)5/h7-9,12-15,18-19,26,28-31,34,36,47H,6,10-11,16-17,20-25H2,1-5H3,(H,41,50)(H,42,43)(H,44,48)(H,45,49)/t26-,28-,29+,30+,31-,34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50403198 (CHEMBL2114445) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C40H58N6O4/c1-6-26(2)36(39(50)41-23-35-42-32-18-12-13-19-33(32)43-35)44-37(48)30(20-27-14-8-7-9-15-27)21-31(47)25-46-24-29-17-11-10-16-28(29)22-34(46)38(49)45-40(3,4)5/h7-9,12-15,18-19,26,28-31,34,36,47H,6,10-11,16-17,20-25H2,1-5H3,(H,41,50)(H,42,43)(H,44,48)(H,45,49)/t26-,28-,29+,30+,31+,34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50284036 ((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...) Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C53H58N6O5/c60-41(33-39(31-35-15-3-1-4-16-35)50(61)56-44-23-11-13-25-46(44)58-52(63)48-29-27-37-19-7-9-21-42(37)54-48)34-40(32-36-17-5-2-6-18-36)51(62)57-45-24-12-14-26-47(45)59-53(64)49-30-28-38-20-8-10-22-43(38)55-49/h1-10,15-22,27-30,39-41,44-47,60H,11-14,23-26,31-34H2,(H,56,61)(H,57,62)(H,58,63)(H,59,64)/t39-,40-,44+,45+,46+,47+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay)				Bioorg Med Chem Lett 4: 583-588 (1994) Article DOI: 10.1016/S0960-894X(01)80159-1 BindingDB Entry DOI: 10.7270/Q2Q24061
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50145712 (2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...) Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor alpha				Bioorg Med Chem Lett 14: 6113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.031 BindingDB Entry DOI: 10.7270/Q2QN67J1
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12963 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)13-19(17)30)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50284034 ((2R,6R)-2,6-Dibenzyl-4-hydroxy-heptanedioic acid b...) Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C53H58N6O5/c60-43(29-41(27-35-15-3-1-4-16-35)50(61)56-44-23-11-13-25-46(44)58-52(63)48-31-37-19-7-9-21-39(37)33-54-48)30-42(28-36-17-5-2-6-18-36)51(62)57-45-24-12-14-26-47(45)59-53(64)49-32-38-20-8-10-22-40(38)34-55-49/h1-10,15-22,31-34,41-47,60H,11-14,23-30H2,(H,56,61)(H,57,62)(H,58,63)(H,59,64)/t41-,42-,44+,45+,46+,47+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against recombinant HIV-1 protease using 125 I-SPA (scintillation proximity assay)				Bioorg Med Chem Lett 4: 583-588 (1994) Article DOI: 10.1016/S0960-894X(01)80159-1 BindingDB Entry DOI: 10.7270/Q2Q24061
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12955 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)19(30)13-17)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50156525 (2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...) Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(C)cc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C29H29NO5/c1-20-9-13-25(14-10-20)35-29(3,28(31)32)19-22-11-15-24(16-12-22)33-18-17-26-21(2)34-27(30-26)23-7-5-4-6-8-23/h4-16H,17-19H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor alpha				Bioorg Med Chem Lett 14: 6113-6 (2004) Article DOI: 10.1016/j.bmcl.2004.09.031 BindingDB Entry DOI: 10.7270/Q2QN67J1
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282095 (CHEMBL291155 | Quinoline-2-carboxylic acid {(1S,2S...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C42H57N5O4/c1-42(2,3)46-41(51)38-25-30-16-7-8-17-31(30)26-47(38)27-33(48)24-32(23-28-13-5-4-6-14-28)39(49)44-35-19-11-12-20-36(35)45-40(50)37-22-21-29-15-9-10-18-34(29)43-37/h4-6,9-10,13-15,18,21-22,30-33,35-36,38,48H,7-8,11-12,16-17,19-20,23-27H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t30-,31+,32+,33?,35-,36-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282103 ((3S,4aS,8aS)-2-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazo...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)CC(O)(CO)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C41H60N6O5/c1-6-27(2)36(39(51)42-23-35-43-32-18-12-13-19-33(32)44-35)45-37(49)31(20-28-14-8-7-9-15-28)22-41(52,26-48)25-47-24-30-17-11-10-16-29(30)21-34(47)38(50)46-40(3,4)5/h7-9,12-15,18-19,27,29-31,34,36,48,52H,6,10-11,16-17,20-26H2,1-5H3,(H,42,51)(H,43,44)(H,45,49)(H,46,50)/t27-,29-,30+,31+,34-,36-,41?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282092 (CHEMBL412878 | Isoquinoline-3-carboxylic acid {(1S...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C42H57N5O4/c1-42(2,3)46-41(51)38-24-30-16-8-10-18-32(30)26-47(38)27-34(48)22-33(21-28-13-5-4-6-14-28)39(49)44-35-19-11-12-20-36(35)45-40(50)37-23-29-15-7-9-17-31(29)25-43-37/h4-7,9,13-15,17,23,25,30,32-36,38,48H,8,10-12,16,18-22,24,26-27H2,1-3H3,(H,44,49)(H,45,50)(H,46,51)/t30-,32+,33+,34?,35-,36-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282078 ((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-(...) Show SMILES CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC Show InChI InChI=1S/C29H52N4O9/c1-9-11-13-21(26(37)30-17(3)24(35)32-19(5)28(39)41-7)15-23(34)16-22(14-12-10-2)27(38)31-18(4)25(36)33-20(6)29(40)42-8/h17-23,34H,9-16H2,1-8H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)/t17-,18-,19-,20-,21+,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12956 ((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H42Cl2N8O4S/c1-5-17(4)23(26(42)37-21(7-6-10-35-28(32)33)24(40)27-34-11-12-44-27)39-25(41)22(13-16(2)3)38-29(43)36-15-18-8-9-19(30)20(31)14-18/h8-9,11-12,14,16-17,21-23H,5-7,10,13,15H2,1-4H3,(H,37,42)(H,39,41)(H4,32,33,35)(H2,36,38,43)/t17?,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282091 (1-((R)-4-{(1S,2S)-1-[(1H-Benzoimidazol-2-ylmethyl)...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)CN1CCC[C@@H]1C(=O)NC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C35H50N6O4/c1-6-23(2)31(34(45)36-21-30-37-27-15-10-11-16-28(27)38-30)39-32(43)25(19-24-13-8-7-9-14-24)20-26(42)22-41-18-12-17-29(41)33(44)40-35(3,4)5/h7-11,13-16,23,25-26,29,31,42H,6,12,17-22H2,1-5H3,(H,36,45)(H,37,38)(H,39,43)(H,40,44)/t23-,25+,26?,29+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for inhibitory activity against HIV-1 Protease				Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282085 ((S)-2-((S)-2-{(2R,6R)-2-Butyl-4-hydroxy-6-[(S)-1-(...) Show SMILES CCCC[C@H](CC(O)C[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C47H72N4O9/c1-9-11-23-35(42(53)48-38(25-31(3)4)44(55)50-40(46(57)59-7)27-33-19-15-13-16-20-33)29-37(52)30-36(24-12-10-2)43(54)49-39(26-32(5)6)45(56)51-41(47(58)60-8)28-34-21-17-14-18-22-34/h13-22,31-32,35-41,52H,9-12,23-30H2,1-8H3,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t35-,36-,38+,39+,40+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 3: 1589-1594 (1993) Article DOI: 10.1016/S0960-894X(00)80023-2 BindingDB Entry DOI: 10.7270/Q24X57QC
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12946 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H38Cl2N8O4S/c1-18(2)25(28(44)39-23(9-6-12-37-30(34)35)26(42)29-36-13-14-46-29)41-27(43)24(16-19-7-4-3-5-8-19)40-31(45)38-17-20-10-11-21(32)22(33)15-20/h3-5,7-8,10-11,13-15,18,23-25H,6,9,12,16-17H2,1-2H3,(H,39,44)(H,41,43)(H4,34,35,37)(H2,38,40,45)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
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Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM439600 (US10633389, Example 1-1 | US20230279020, Example 1...) Show SMILES CNCC(O)COc1cccc(c1)-c1nc(cc(n1)-c1ccncc1)N(C)C1CCOCC1 Show InChI InChI=1S/C25H31N5O3/c1-26-16-21(31)17-33-22-5-3-4-19(14-22)25-28-23(18-6-10-27-11-7-18)15-24(29-25)30(2)20-8-12-32-13-9-20/h3-7,10-11,14-15,20-21,26,31H,8-9,12-13,16-17H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use...				US Patent US10633389 (2020) BindingDB Entry DOI: 10.7270/Q29G5QV1
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM439601 (US10633389, Example 2-1 | US20230279020, Example 2...) Show SMILES CNCC(O)COc1cccc(c1)-c1cc(nc(n1)-c1ccncc1)N(C)C1CCOCC1 Show InChI InChI=1S/C25H31N5O3/c1-26-16-21(31)17-33-22-5-3-4-19(14-22)23-15-24(30(2)20-8-12-32-13-9-20)29-25(28-23)18-6-10-27-11-7-18/h3-7,10-11,14-15,20-21,26,31H,8-9,12-13,16-17H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use...				US Patent US10633389 (2020) BindingDB Entry DOI: 10.7270/Q29G5QV1
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM439602 (US10633389, Example 3-1 | US20230279020, Example 3...) Show SMILES CNCC(O)COc1cccc(c1)-c1nc(N[C@@H]2CCOC2)c(C)c(n1)N1CCOCC1 |r| Show InChI InChI=1S/C23H33N5O4/c1-16-21(25-18-6-9-31-14-18)26-22(27-23(16)28-7-10-30-11-8-28)17-4-3-5-20(12-17)32-15-19(29)13-24-2/h3-5,12,18-19,24,29H,6-11,13-15H2,1-2H3,(H,25,26,27)/t18-,19?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use...				US Patent US10633389 (2020) BindingDB Entry DOI: 10.7270/Q29G5QV1
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM439609 (US10633389, Example 9-1 | US20230279020, Example 9...) Show SMILES CNCC(O)COc1cccc(c1)-c1nc(cc(n1)C1=CCCC1)N(C)CCC#N |t:21| Show InChI InChI=1S/C23H29N5O2/c1-25-15-19(29)16-30-20-10-5-9-18(13-20)23-26-21(17-7-3-4-8-17)14-22(27-23)28(2)12-6-11-24/h5,7,9-10,13-14,19,25,29H,3-4,6,8,12,15-16H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use...				US Patent US10633389 (2020) BindingDB Entry DOI: 10.7270/Q29G5QV1
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM439610 (US10633389, Example 10-1 | US20230279020, Example ...) Show SMILES CNCC(O)COc1cccc(c1)-c1nc(cc(n1)N(C)C1CCOCC1)C1CC1 Show InChI InChI=1S/C23H32N4O3/c1-24-14-19(28)15-30-20-5-3-4-17(12-20)23-25-21(16-6-7-16)13-22(26-23)27(2)18-8-10-29-11-9-18/h3-5,12-13,16,18-19,24,28H,6-11,14-15H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM Bicine (pH=7.6), 1 mM TCEP, 0.005% BSG, and 0.002% Tween 20, prepared on the day of use...				US Patent US10633389 (2020) BindingDB Entry DOI: 10.7270/Q29G5QV1
					More data for this Ligand-Target Pair

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