BDBM50065069 (4R,5S,6S,7R)-1-{3-[(1H-Benzoimidazol-2-ylmethyl)-amino]-4-fluoro-benzyl}-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-[1,3]diazepan-2-one::CHEMBL312659

SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc(F)c(NCc3nc4ccccc4[nH]3)c2)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=PVRCWMUDFFKIAS-ZAGYQXHLSA-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 = 50065069   

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)	BDBM50065069 ((4R,5S,6S,7R)-1-{3-[(1H-Benzoimidazol-2-ylmethyl)-...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc(F)c(NCc3nc4ccccc4[nH]3)c2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C42H40FN7O3/c43-32-17-15-30(20-36(32)44-24-39-46-34-13-7-8-14-35(34)47-39)26-50-38(22-28-11-5-2-6-12-28)41(52)40(51)37(21-27-9-3-1-4-10-27)49(42(50)53)25-29-16-18-33-31(19-29)23-45-48-33/h1-20,23,37-38,40-41,44,51-52H,21-22,24-26H2,(H,45,48)(H,46,47)/t37-,38-,40+,41+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0280	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