BDBM50065063 (4R,5S,6S,7R)-4,7-Dibenzyl-1-(3-dimethylamino-benzyl)-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-[1,3]diazepan-2-one::CHEMBL311773

SMILES: CN(C)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1

InChI Key: InChIKey=DIMZZOUXFBIBDD-WDKGQIBQSA-N

Data: 1 KI

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 = 50065063   

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
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50065063 ((4R,5S,6S,7R)-4,7-Dibenzyl-1-(3-dimethylamino-benz...) Show SMILES CN(C)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 Show InChI InChI=1S/C36H39N5O3/c1-39(2)30-15-9-14-27(19-30)23-40-32(20-25-10-5-3-6-11-25)34(42)35(43)33(21-26-12-7-4-8-13-26)41(36(40)44)24-28-16-17-31-29(18-28)22-37-38-31/h3-19,22,32-35,42-43H,20-21,23-24H2,1-2H3,(H,37,38)/t32-,33-,34+,35+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dupont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW
					More data for this Ligand-Target Pair