BDBM50091600 4-(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::CHEMBL115080

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)cc12

InChI Key: InChIKey=JZVBSCXBZJRRCG-IFOLXRGGSA-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 = 50091600   

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)	BDBM50091600 (4-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridin-5-ylmeth...) 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)cc12 Show InChI InChI=1S/C39H51N7O4/c1-25-32-18-27(21-40-36(32)44(5)43-25)22-45-15-16-46(33(24-45)38(50)42-39(2,3)4)23-30(47)19-29(17-26-11-7-6-8-12-26)37(49)41-35-31-14-10-9-13-28(31)20-34(35)48/h6-14,18,21,29-30,33-35,47-48H,15-17,19-20,22-24H2,1-5H3,(H,41,49)(H,42,50)/t29-,30+,33+,34-,35?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	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