BDBM1165 (4R,5S,6S,7R)-1,3-Bis{[4-(methoxycarbonyl)phenyl]methyl}-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 6

SMILES: COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(cc3)C(=O)OC)C2=O)cc1

InChI Key: InChIKey=QHCPFNABVWBWET-WZJLIZBTSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains 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 = 1165   

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)	BDBM1165 ((4R,5S,6S,7R)-1,3-Bis{[4-(methoxycarbonyl)phenyl]m...) Show SMILES COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(cc3)C(=O)OC)C2=O)cc1 |r| Show InChI InChI=1S/C37H38N2O9/c1-45-35(42)27-17-13-25(14-18-27)21-38-31(23-47-29-9-5-3-6-10-29)33(40)34(41)32(24-48-30-11-7-4-8-12-30)39(37(38)44)22-26-15-19-28(20-16-26)36(43)46-2/h3-20,31-34,40-41H,21-24H2,1-2H3/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	5.5	37
Uppsala University					Assay Description The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho...				J Med Chem 40: 885-97 (1997) Article DOI: 10.1021/jm960728j BindingDB Entry DOI: 10.7270/Q24B2ZGX
					More data for this Ligand-Target Pair