BDBM423428 WO2005113580-Ex-26

SMILES: COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1

InChI Key: InChIKey=XXYBEOYTBGBIIC-WIRXVTQYSA-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 = 423428   

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...)	BDBM423428 (WO2005113580-Ex-26) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1 Show InChI InChI=1S/C34H42N4O6/c1-43-31-14-8-13-26-25(31)19-29(36-26)34(42)38-28(17-22-9-4-2-5-10-22)33(41)37-27(18-24-15-16-35-32(24)40)30(39)21-44-20-23-11-6-3-7-12-23/h3,6-8,11-14,19,22,24,27-28,36H,2,4-5,9-10,15-18,20-21H2,1H3,(H,35,40)(H,37,41)(H,38,42)/t24-,27-,28-/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	5.80E+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...)	BDBM423428 (WO2005113580-Ex-26) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1 Show InChI InChI=1S/C34H42N4O6/c1-43-31-14-8-13-26-25(31)19-29(36-26)34(42)38-28(17-22-9-4-2-5-10-22)33(41)37-27(18-24-15-16-35-32(24)40)30(39)21-44-20-23-11-6-3-7-12-23/h3,6-8,11-14,19,22,24,27-28,36H,2,4-5,9-10,15-18,20-21H2,1H3,(H,35,40)(H,37,41)(H,38,42)/t24-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	133	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