BDBM50368426 CHEMBL1790892::CHEMBL3349502

SMILES: [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1

InChI Key: InChIKey=UOQROKVTYGNUDX-XZODFOJLSA-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 = 50368426   

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)	BDBM50368426 (CHEMBL1790892 | CHEMBL3349502) Show SMILES [H][C@@](O)(CN1CCCC1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C41H55N7O8/c1-6-25(4)36(40(54)46-35(24(2)3)41(55)56-5)47-39(53)32-17-12-20-48(32)23-33(49)30(21-26-13-8-7-9-14-26)44-38(52)31(22-34(42)50)45-37(51)29-19-18-27-15-10-11-16-28(27)43-29/h7-11,13-16,18-19,24-25,30-33,35-36,49H,6,12,17,20-23H2,1-5H3,(H2,42,50)(H,44,52)(H,45,51)(H,46,54)(H,47,53)/t25-,30+,31+,32?,33-,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to HIV protease				J Med Chem 35: 3803-12 (1992) BindingDB Entry DOI: 10.7270/Q2348M0D
					More data for this Ligand-Target Pair