Affinity Data by PubMed id=19645480

PubMed code 19645480

Found 24 hits of Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31531 (Substituted Benzamide Derivative, 2 \| med.21724, C...) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31523 (Compound 6 \| Naphthalene and Benzamide Derivative,...) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31530 (2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphth...) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31528 (Substituted Benzamide Derivative, 32) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31520 (Naphthalene and Benzamide Derivative, 5h) Show SMILES C[C@@H](NC(=O)c1ccccc1C)c1cccc2ccccc12 Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31524 (5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (crystal)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31527 (Substituted Benzamide Derivative, 40) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31529 (Substituted Benzamide Derivative, 47) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31526 (Substituted Benzamide Derivative, 33) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31508 (Substituted Benzamide Derivative, lead \| med.21724...) Show SMILES C[C@@H](NC(=O)c1ccccc1C)c1ccc2ccccc2c1 Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31525 (Substituted Benzamide Derivative, 29 \| med.21724, ...) Show SMILES Cc1ccc(N)cc1C(=O)NC(C)(C)c1cccc2ccccc12 Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31514 (Naphthyl and Benzamide Derivative, 5f) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31512 (Substituted Benzamide Derivative, 5d) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31509 (Substituted Benzamide Derivative, 5a) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31521 (Naphthalene and Benzamide Derivative, 21 \| med.217...) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31522 (Naphthalene and Benzamide Derivative, 23) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31510 (Substituted Benzamide Derivative, 5b) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31516 (Naphthyl and Benzamide Derivative, 9) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.61E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair				3D Structure (docked)
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31511 (Substituted Benzamide Derivative, 5c) Show SMILES COc1ccccc1C(=O)N[C@H](C)c1ccc2ccccc2c1 Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31513 (Substituted Benzamide Derivative, 5e) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31517 (Naphthyl and Benzamide Derivative, 8) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31515 (Naphthyl and Benzamide Derivative, 5g) Show SMILES C[C@@H](NC(=O)c1ccccc1O)c1ccc2ccccc2c1 Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31518 (Naphthyl and Benzamide Derivative, 14 \| racemic) Show SMILES CCC(NC(=O)c1ccccc1C)c1ccc2ccccc2c1 Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31519 (Naphthyl and Benzamide Derivative, 17 \| racemic) Show SMILES Show InChI	PDB MMDB DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	23
Purdue University					Assay Description IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...				J Med Chem 52: 5228-40 (2009) Article DOI: 10.1021/jm900611t BindingDB Entry DOI: 10.7270/Q2P8497Z
Purdue University					More data for this Ligand-Target Pair

* indicates data uncertainty>20%