BDBM7080 N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[3-(1H-1,3-benzodiazol-2-ylcarbamoyl)phenyl]methyl}-4,7-diethyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzamide::SD146 Analog 1

SMILES: CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1

InChI Key: InChIKey=DWFBAIALVWQHRX-WZJLIZBTSA-N

Data: 1 KI

PDB links: 2 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 = 7080   

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)	BDBM7080 (N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[...) Show SMILES CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C39H40N8O5/c1-3-31-33(48)34(49)32(4-2)47(22-24-12-10-14-26(20-24)36(51)45-38-42-29-17-7-8-18-30(29)43-38)39(52)46(31)21-23-11-9-13-25(19-23)35(50)44-37-40-27-15-5-6-16-28(27)41-37/h5-20,31-34,48-49H,3-4,21-22H2,1-2H3,(H2,40,41,44,50)(H2,42,43,45,51)/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	-11.8	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