BDBM423436 WO2005113580-Ex-38

SMILES: COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)C(C)(C)C

InChI Key: InChIKey=STJUYOUQLTVKIO-YYWHXJBOSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 423436   

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...)	BDBM423436 (WO2005113580-Ex-38) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C29H40N4O7/c1-16(2)12-21(33-27(37)22-14-18-19(31-22)8-7-9-24(18)39-6)26(36)32-20(13-17-10-11-30-25(17)35)23(34)15-40-28(38)29(3,4)5/h7-9,14,16-17,20-21,31H,10-13,15H2,1-6H3,(H,30,35)(H,32,36)(H,33,37)/t17-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423436 (WO2005113580-Ex-38) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C29H40N4O7/c1-16(2)12-21(33-27(37)22-14-18-19(31-22)8-7-9-24(18)39-6)26(36)32-20(13-17-10-11-30-25(17)35)23(34)15-40-28(38)29(3,4)5/h7-9,14,16-17,20-21,31H,10-13,15H2,1-6H3,(H,30,35)(H,32,36)(H,33,37)/t17-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc.					Assay Description The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...				WIPO (2005) BindingDB Entry DOI: 10.7270/Q2PV6NRF
					More data for this Ligand-Target Pair