BDBM7066 (4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-4,7-bis[(3-methoxyphenyl)methyl]-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(cyclopropylmethyl)-4,7-bis[(3-methoxyphenyl)methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 56

SMILES: COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)c1

InChI Key: InChIKey=IRQGWRXNIWWMMU-VIJSPRBVSA-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 = 7066   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM7066 ((4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-5,6-dihyd...) Show SMILES COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)c1 Show InChI InChI=1S/C29H38N2O5/c1-35-23-7-3-5-21(13-23)15-25-27(32)28(33)26(16-22-6-4-8-24(14-22)36-2)31(18-20-11-12-20)29(34)30(25)17-19-9-10-19/h3-8,13-14,19-20,25-28,32-33H,9-12,15-18H2,1-2H3/t25-,26-,27+,28+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				J Med Chem 39: 2156-69 (1996) Article DOI: 10.1021/jm960083n BindingDB Entry DOI: 10.7270/Q257197T
					More data for this Ligand-Target Pair