BDBM50541882 CHEMBL4634362

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=JVNACELYFBDLLA-LOSJGSFVSA-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 = 50541882   

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)	BDBM50541882 (CHEMBL4634362) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN1CCOCC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C26H38N4O5S/c1-20(2)17-30(36(33,34)23-10-8-22(27)9-11-23)18-25(31)24(16-21-6-4-3-5-7-21)28-26(32)19-29-12-14-35-15-13-29/h3-11,20,24-25,31H,12-19,27H2,1-2H3,(H,28,32)/t24-,25+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				ACS Med Chem Lett 11: 1196-1204 (2020)
					More data for this Ligand-Target Pair