BDBM50091612 4-(4-Chloro-furo[2,3-b]pyridin-5-ylmethyl)-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL325181

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2Cl)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=UFELAQKNFHLHDW-DFZQTQITSA-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 = 50091612   

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)	BDBM50091612 (4-(4-Chloro-furo[2,3-b]pyridin-5-ylmethyl)-1-[2-hy...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2Cl)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46ClN5O5/c1-38(2,3)42-36(48)31-23-43(21-27-20-40-37-30(33(27)39)13-16-49-37)14-15-44(31)22-28(45)18-26(17-24-9-5-4-6-10-24)35(47)41-34-29-12-8-7-11-25(29)19-32(34)46/h4-13,16,20,26,28,31-32,34,45-46H,14-15,17-19,21-23H2,1-3H3,(H,41,47)(H,42,48)/t26-,28+,31+,32-,34?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in vitro.				J Med Chem 43: 3386-99 (2000) BindingDB Entry DOI: 10.7270/Q23J3DP4
					More data for this Ligand-Target Pair