BDBM50065066 (4R,5S,6S,7R)-1-(3-Amino-4-methyl-benzyl)-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-[1,3]diazepan-2-one::CHEMBL310677

SMILES: Cc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)cc1N

InChI Key: InChIKey=KDXDWVNUODBVJT-WZJLIZBTSA-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 = 50065066   

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)	BDBM50065066 ((4R,5S,6S,7R)-1-(3-Amino-4-methyl-benzyl)-4,7-dibe...) Show SMILES Cc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)cc1N Show InChI InChI=1S/C35H37N5O3/c1-23-12-13-27(17-29(23)36)22-40-32(19-25-10-6-3-7-11-25)34(42)33(41)31(18-24-8-4-2-5-9-24)39(35(40)43)21-26-14-15-30-28(16-26)20-37-38-30/h2-17,20,31-34,41-42H,18-19,21-22,36H2,1H3,(H,37,38)/t31-,32-,33+,34+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	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