BDBM423431 WO2005113580-Ex-29::cmdc.202100576, 6d

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

InChI Key: InChIKey=QZZQSANQZVXOQZ-QSFXBCCZSA-N

Data: 2 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 3 hits for monomerid = 423431   

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...)	BDBM423431 (WO2005113580-Ex-29 | cmdc.202100576, 6d) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-20(24(33)28-18(21(31)13-30)11-15-8-9-26-23(15)32)29(3)25(34)19-12-16-17(27-19)6-5-7-22(16)35-4/h5-7,12,14-15,18,20,27,30H,8-11,13H2,1-4H3,(H,26,32)(H,28,33)/t15-,18-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO	n/a	n/a	105	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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423431 (WO2005113580-Ex-29 | cmdc.202100576, 6d) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-20(24(33)28-18(21(31)13-30)11-15-8-9-26-23(15)32)29(3)25(34)19-12-16-17(27-19)6-5-7-22(16)35-4/h5-7,12,14-15,18,20,27,30H,8-11,13H2,1-4H3,(H,26,32)(H,28,33)/t15-,18-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021)
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423431 (WO2005113580-Ex-29 | cmdc.202100576, 6d) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-20(24(33)28-18(21(31)13-30)11-15-8-9-26-23(15)32)29(3)25(34)19-12-16-17(27-19)6-5-7-22(16)35-4/h5-7,12,14-15,18,20,27,30H,8-11,13H2,1-4H3,(H,26,32)(H,28,33)/t15-,18-,20-/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	1.90E+4	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