BDBM7036 (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis({[4-(propan-2-yl)phenyl]methyl})-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phenylmethyl)-4,7-bis[(4-isopropylphenyl)methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 16

SMILES: CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)C(C)C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1

InChI Key: InChIKey=RVRZGUWLTBTUQV-RNATXAOGSA-N

Data: 1 KI

PDB links: 8 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 = 7036   

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)	BDBM7036 ((4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis({...) Show SMILES CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)C(C)C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1 Show InChI InChI=1S/C39H46N2O3/c1-27(2)33-19-15-29(16-20-33)23-35-37(42)38(43)36(24-30-17-21-34(22-18-30)28(3)4)41(26-32-13-9-6-10-14-32)39(44)40(35)25-31-11-7-5-8-12-31/h5-22,27-28,35-38,42-43H,23-26H2,1-4H3/t35-,36-,37+,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	-12.7	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-...				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