BDBM50242216 CHEMBL4088461

SMILES: C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1c(C)cc(F)cc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=ABVWBVAFVZTDDY-ISQGJBOLSA-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 = 50242216   

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)	BDBM50242216 (CHEMBL4088461) Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NN(Cc1c(C)cc(F)cc1C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C45H57FN12O6/c1-26-17-31(46)18-27(2)34(26)24-58(45(64)56-38(19-29-11-5-4-6-12-29)44(63)54-37(40(49)59)15-9-10-16-47)57-41(60)28(3)53-43(62)39(20-30-22-51-36-14-8-7-13-33(30)36)55-42(61)35(48)21-32-23-50-25-52-32/h4-8,11-14,17-18,22-23,25,28,35,37-39,51H,9-10,15-16,19-21,24,47-48H2,1-3H3,(H2,49,59)(H,50,52)(H,53,62)(H,54,63)(H,55,61)(H,56,64)(H,57,60)/t28-,35-,37-,38+,39+/m0/s1	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)				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