Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Data curated solely by BindingDB

Found 48 hits of affinity data for UniProtKB/TrEMBL: P00784

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Papain Carica papaya	dipeptidyl aldehyde, 52 (tert-butyl N-[(1S)-1-[(2-oxoethyl)carbamoyl]-2-phe...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	15.00	-44.65	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 35 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	16.00	-44.49	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derivative, 44 ((2S)-N-(cyanomethyl)-3-phenyl-2-[(4-phenylphenyl)f...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	16.00	-44.49	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 34 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(n...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	21.00	-43.82	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 28 (tert-butyl N-[(1S)-2-(4-bromophenyl)-1-[(cyanometh...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	29.00	-43.02	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derivative, 43 ((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	62.00	-41.13	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 23 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	190.0	-38.36	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 19 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(t...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	190.0	-38.36	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 16 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-ph...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	260.0	-37.58	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 24 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(4...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	270.0	-37.49	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 29 (tert-butyl N-[(1S)-2-(3-bromophenyl)-1-[(cyanometh...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	330.0	-36.99	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 17 (benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenyl...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CHEBI CSLS PC cid PC sid	PubMed	360.0	-36.77	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derivative, 42 ((2S)-N-(cyanomethyl)-2-acetamido-3-phenylpropanami...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	380.0	-36.64	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 26 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	400.0	-36.51	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 30 (tert-butyl N-[(1S)-2-(2-bromophenyl)-1-[(cyanometh...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	460.0	-36.17	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 25 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(3...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	500.0	-35.96	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 20 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(t...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	570.0	-35.64	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 12 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-(m...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	650.0	-35.31	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 6 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]butyl...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	750.0	-34.95	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 18 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(f...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	1200	-33.79	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 39 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(3...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	1200	-33.79	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 13 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]penty...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	1570	-33.12	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 5 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-me...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	PC cid PC sid	PubMed	2000	-32.52	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 7 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-me...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	2000	-32.52	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 11 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-cy...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	2200	-32.29	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptidyl nitrile, 1 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	3100	-31.44	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 4 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]propy...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	5400	-30.06	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 32 (tert-butyl N-[(1S)-2-(1-benzothiophen-3-yl)-1-[(cy...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	7400	-29.28	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 31 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(1...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	7600	-29.21	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 38 (N-(cyanomethyl)-2-(naphthalene-2-sulfonamido)aceta...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	10000	-28.53	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 22 (tert-butyl N-[(1S)-2-(benzyloxy)-1-[(cyanomethyl)c...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	11000	-28.30	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 21 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-ph...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	12000	-28.08	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 10 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-cy...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	13000	-27.88	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 27 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	14000	-27.70	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 3 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]ethyl...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	PC cid PC sid	PubMed	22000	-26.58	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 9 (tert-butyl N-[(1S,2R)-1-[(cyanomethyl)carbamoyl]-2...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	PC cid PC sid	PubMed	26000	-26.17	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 33 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(n...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	28000	-25.98	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derivative, 36 (tert-butyl N-[(1R)-1-[(cyanomethyl)carbamoyl]-2-ph...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	41000	-25.04	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 15 (tert-butyl N-[(S)-[(cyanomethyl)carbamoyl](phenyl)...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	83000	-23.29	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derivative, 37 (tert-butyl N-[(1S)-1-[(cyanomethyl)(methyl)carbamo...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	>100000	>-22.83	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	methyl ketone, 53 (tert-butyl N-[(1S)-1-[(2-oxopropyl)carbamoyl]-2-ph...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	187000	-21.27	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 40 (tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(2...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	299000	-20.11	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derived allylamide, 55 (tert-butyl N-[(1S)-2-phenyl-1-(prop-2-en-1-ylcarba...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	PC cid PC sid	PubMed	497000	-18.85	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derived propargyl, 54 (tert-butyl N-[(1S)-2-phenyl-1-(prop-2-yn-1-ylcarba...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	497000	-18.85	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 14 (tert-butyl (2S)-2-[(cyanomethyl)carbamoyl]pyrrolid...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	537000	-18.66	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	phenylalanine derivative, 48 (2-({N-benzyl-N'-[(tert-butoxy)carbonyl]hydrazineca...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	CSLS PC cid PC sid	PubMed	725000	-17.92	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 2 (benzyl N-{[(cyanomethyl)carbamoyl]methyl}carbamate)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	PC cid PC sid	PubMed	1599000	-15.96	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)
Papain Carica papaya	dipeptide-derived nitrile, 1 (tert-butyl N-{[(cyanomethyl)carbamoyl]methyl}carba...)	B.MOAD DrugBank GoogleScholar MMDB PDB Protherm UniProtKB/SwissProt	PC cid PC sid	PubMed	>3000000	>-14.40	n/a	n/a	n/a	6.5	25
Rheinische Friedrich-Wilhelms-Universitat Bonn					J Med Chem. 48: 7688-707 (2005)

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• Change energy unit to:  kcal/mole