BDBM50484479 CHEMBL479724::med.21724, Compound 44

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O

InChI Key: InChIKey=SYPDBXVHHYPEDE-OYJIISJGSA-N

Data: 3 IC50

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 = 50484479   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50484479 (CHEMBL479724 | acs.jmedchem.1c00409_ST.669 | med.2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O |r| Show InChI InChI=1S/C26H46N6O8/c1-14(2)11-19(24(38)29-18(12-33)9-10-21(36)32(7)8)30-26(40)22(15(3)4)31-23(37)16(5)27-25(39)20(13-34)28-17(6)35/h12,14-16,18-20,22,34H,9-11,13H2,1-8H3,(H,27,39)(H,28,35)(H,29,38)(H,30,40)(H,31,37)/t16-,18-,19-,20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
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3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50484479 (CHEMBL479724 | acs.jmedchem.1c00409_ST.669 | med.2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O |r| Show InChI InChI=1S/C26H46N6O8/c1-14(2)11-19(24(38)29-18(12-33)9-10-21(36)32(7)8)30-26(40)22(15(3)4)31-23(37)16(5)27-25(39)20(13-34)28-17(6)35/h12,14-16,18-20,22,34H,9-11,13H2,1-8H3,(H,27,39)(H,28,35)(H,29,38)(H,30,40)(H,31,37)/t16-,18-,19-,20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Chymotrypsin-like protease CTRL-1 (Homo sapiens (Human))	BDBM50484479 (CHEMBL479724 | acs.jmedchem.1c00409_ST.669 | med.2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O |r| Show InChI InChI=1S/C26H46N6O8/c1-14(2)11-19(24(38)29-18(12-33)9-10-21(36)32(7)8)30-26(40)22(15(3)4)31-23(37)16(5)27-25(39)20(13-34)28-17(6)35/h12,14-16,18-20,22,34H,9-11,13H2,1-8H3,(H,27,39)(H,28,35)(H,29,38)(H,30,40)(H,31,37)/t16-,18-,19-,20-,22-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO1 preincubated for 20 mins before substrate addition and measured aft...				J Med Chem 54: 7962-73 (2011) Article DOI: 10.1021/jm200870n BindingDB Entry DOI: 10.7270/Q29G5QNB
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50484479 (CHEMBL479724 | acs.jmedchem.1c00409_ST.669 | med.2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O |r| Show InChI InChI=1S/C26H46N6O8/c1-14(2)11-19(24(38)29-18(12-33)9-10-21(36)32(7)8)30-26(40)22(15(3)4)31-23(37)16(5)27-25(39)20(13-34)28-17(6)35/h12,14-16,18-20,22,34H,9-11,13H2,1-8H3,(H,27,39)(H,28,35)(H,29,38)(H,30,40)(H,31,37)/t16-,18-,19-,20-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+4	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