BDBM50231127 CHEMBL2304047

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N(C)c1ccccn1

InChI Key: InChIKey=YPSLJMJXIPQDLV-MDZZQZJRSA-N

Data: 1 KI

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 = 50231127   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50231127 (CHEMBL2304047) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N(C)c1ccccn1 Show InChI InChI=1S/C42H59N5O7/c1-6-28(4)39(42(53)47(5)37-21-12-13-22-43-37)46-40(51)32(27(2)3)24-35(49)33(23-29-15-8-7-9-16-29)45-41(52)34(25-48)44-38(50)26-54-36-20-14-18-30-17-10-11-19-31(30)36/h10-14,17-22,27-29,32-35,39,48-49H,6-9,15-16,23-26H2,1-5H3,(H,44,50)(H,45,52)(H,46,51)/t28-,32-,33-,34-,35-,39-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Company Curated by ChEMBL					Assay Description Selective binding affinity against Opioid receptor delta 1, using [3H]DPDPE as radioligand				J Med Chem 36: 2575-7 (1993) BindingDB Entry DOI: 10.7270/Q23R0THS
					More data for this Ligand-Target Pair