BDBM7070 (4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-4,7-bis[(3,5-dimethoxyphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(cyclopropylmethyl)-4,7-bis[(3,5-dimethoxyphenyl)methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 60

SMILES: COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)cc(OC)c1

InChI Key: InChIKey=CUTWMGRMTNRFHO-XAZDILKDSA-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 = 7070   

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)	BDBM7070 ((4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-4,7-bis[(...) Show SMILES COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)cc(OC)c1 Show InChI InChI=1S/C31H42N2O7/c1-37-23-9-21(10-24(15-23)38-2)13-27-29(34)30(35)28(14-22-11-25(39-3)16-26(12-22)40-4)33(18-20-7-8-20)31(36)32(27)17-19-5-6-19/h9-12,15-16,19-20,27-30,34-35H,5-8,13-14,17-18H2,1-4H3/t27-,28-,29+,30+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	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