BDBM50242212 CHEMBL4085058

SMILES: COc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1

InChI Key: InChIKey=SYPISMYHIWNGRQ-AOYGRTCDSA-N

Data: 1 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 1 hit for monomerid = 50242212   

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
Platelet glycoprotein 4 (Rattus norvegicus)	BDBM50242212 (CHEMBL4085058) Show SMILES COc1ccc(CN(NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)cc1 |r| Show InChI InChI=1S/C44H56N12O7/c1-27(51-42(60)38(21-30-23-49-35-13-7-6-12-33(30)35)53-41(59)34(46)22-31-24-48-26-50-31)40(58)55-56(25-29-15-17-32(63-2)18-16-29)44(62)54-37(20-28-10-4-3-5-11-28)43(61)52-36(39(47)57)14-8-9-19-45/h3-7,10-13,15-18,23-24,26-27,34,36-38,49H,8-9,14,19-22,25,45-46H2,1-2H3,(H2,47,57)(H,48,50)(H,51,60)(H,52,61)(H,53,59)(H,54,62)(H,55,58)/t27-,34-,36-,37+,38+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-2 protease in the absence of DMSO				J Med Chem 60: 9263-9274 (2017) Article DOI: 10.1021/acs.jmedchem.7b01209 BindingDB Entry DOI: 10.7270/Q2GF0WWV
					More data for this Ligand-Target Pair