BDBM50091615 4-(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-ylmethyl)-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL326336

SMILES: Cc1nn(C)c2ncc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)c(Cl)c12

InChI Key: InChIKey=ACHQUDJPGNODSX-MMKMBUSTSA-N

Data: 1 IC50

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 = 50091615   

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)	BDBM50091615 (4-(4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin...) Show SMILES Cc1nn(C)c2ncc(CN3CCN(C[C@@H](O)C[C@@H](Cc4ccccc4)C(=O)NC4[C@H](O)Cc5ccccc45)[C@@H](C3)C(=O)NC(C)(C)C)c(Cl)c12 Show InChI InChI=1S/C39H50ClN7O4/c1-24-33-34(40)28(20-41-36(33)45(5)44-24)21-46-15-16-47(31(23-46)38(51)43-39(2,3)4)22-29(48)18-27(17-25-11-7-6-8-12-25)37(50)42-35-30-14-10-9-13-26(30)19-32(35)49/h6-14,20,27,29,31-32,35,48-49H,15-19,21-23H2,1-5H3,(H,42,50)(H,43,51)/t27-,29+,31+,32-,35?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Protease				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair