BDBM33 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-hydroxyhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 13

SMILES: OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O

InChI Key: InChIKey=LUWZWPBFBGGXGY-XAZDILKDSA-N

Data: 2 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 2 hits for monomerid = 33   

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)	BDBM33 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6...) Show SMILES OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O Show InChI InChI=1S/C31H46N2O5/c34-21-13-3-1-11-19-32-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)33(31(32)38)20-12-2-4-14-22-35/h5-10,15-18,27-30,34-37H,1-4,11-14,19-24H2/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				Bioorg Med Chem Lett 7: 1365-1370 (1997) Article DOI: 10.1016/S0960-894X(97)00165-0 BindingDB Entry DOI: 10.7270/Q21G0M7B
					More data for this Ligand-Target Pair
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM33 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6...) Show SMILES OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O Show InChI InChI=1S/C31H46N2O5/c34-21-13-3-1-11-19-32-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)33(31(32)38)20-12-2-4-14-22-35/h5-10,15-18,27-30,34-37H,1-4,11-14,19-24H2/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	-12.4	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...				J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M
					More data for this Ligand-Target Pair