BDBM7074 (4R,5S,6S,7R)-4,7-bis[(4-fluorophenyl)methyl]-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis[(4-fluorophenyl)methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 64

SMILES: OCc1ccc(CN2[C@H](Cc3ccc(F)cc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3ccc(CO)cc3)C2=O)cc1

InChI Key: InChIKey=PSHUCZKRZJVSPI-WZJLIZBTSA-N

Data: 1 KI

PDB links: 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 7074   

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)	BDBM7074 ((4R,5S,6S,7R)-4,7-bis[(4-fluorophenyl)methyl]-5,6-...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccc(F)cc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3ccc(CO)cc3)C2=O)cc1 Show InChI InChI=1S/C35H36F2N2O5/c36-29-13-9-23(10-14-29)17-31-33(42)34(43)32(18-24-11-15-30(37)16-12-24)39(20-26-3-7-28(22-41)8-4-26)35(44)38(31)19-25-1-5-27(21-40)6-2-25/h1-16,31-34,40-43H,17-22H2/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.440	-13.3	n/a	n/a	n/a	n/a	n/a	5.5	37
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-...				Bioorg Med Chem Lett 8: 1077-82 (1998) Article DOI: 10.1016/s0960-894x(98)00175-9 BindingDB Entry DOI: 10.7270/Q21G0JGN
					More data for this Ligand-Target Pair