BDBM1699 Cyclic Cyanoguanidine deriv. 8o::[4R-(4a,5a,6B,7B)]-[1,3-Bis[(4-aminophenyl)methyl]hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-ylidene]cyanamide::{[(4R,5S,6S,7R)-1,3-bis[(4-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-ylidene]amino}carbonitrile

SMILES: [#7]-c1ccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3ccc(-[#7])cc3)\[#6]-2=[#7]\C#N)cc1

InChI Key: InChIKey=VFOUSMYIJZIYBD-FYZVQMPESA-N

Data: 1 KI

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 = 1699   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1699 (Cyclic Cyanoguanidine deriv. 8o | [4R-(4a,5a,6B,7B...) Show SMILES [#7]-c1ccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3ccc(-[#7])cc3)\[#6]-2=[#7]\C#N)cc1 |r| Show InChI InChI=1S/C34H36N6O2/c35-23-38-34-39(21-26-11-15-28(36)16-12-26)30(19-24-7-3-1-4-8-24)32(41)33(42)31(20-25-9-5-2-6-10-25)40(34)22-27-13-17-29(37)18-14-27/h1-18,30-33,41-42H,19-22,36-37H2/t30-,31-,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	-10.8	n/a	n/a	n/a	n/a	n/a	5.5	37
The 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 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM
					More data for this Ligand-Target Pair