BDBM31523 Compound 6::Naphthalene and Benzamide Derivative, 24::med.21724, Compound 162

SMILES: C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12

InChI Key: InChIKey=KGPYBLOBHQLIET-OAHLLOKOSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 31523   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
SARS Coronavirus Coronavirus Papain-Like Protease (Human SARS coronavirus (SARS-CoV))	BDBM31523 (Compound 6 | Naphthalene and Benzamide Derivative,...) Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM31523 (Compound 6 | Naphthalene and Benzamide Derivative,...) Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM31523 (Compound 6 | Naphthalene and Benzamide Derivative,...) Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
University of Georgia					Assay Description Emulating Ratia et al., who detailed the potency of these four compounds against SARS-CoV-1, we utilized the peptide-AMC substrate concentration of 5...				ACS Infect Dis 6: 2099-2109 (2020) Article DOI: 10.1021/acsinfecdis.0c00168 BindingDB Entry DOI: 10.7270/Q2474D7W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM31523 (Compound 6 | Naphthalene and Benzamide Derivative,...) Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Georgia					Assay Description Emulating Ratia et al., who detailed the potency of these four compounds against SARS-CoV-1, we utilized the peptide-AMC substrate concentration of 5...				ACS Infect Dis 6: 2099-2109 (2020) Article DOI: 10.1021/acsinfecdis.0c00168 BindingDB Entry DOI: 10.7270/Q2474D7W
					More data for this Ligand-Target Pair