BDBM50109705 (S)-4-(5-Fluoro-benzofuran-2-ylmethyl)-1-[(2S,4R)-2-hydroxy-4-((R)-(R)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide::CHEMBL151080

SMILES: CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=UBDJNLDVQBFRGZ-FOGBGCKRSA-N

Data: 2 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 2 hits for monomerid = 50109705   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109705 ((S)-4-(5-Fluoro-benzofuran-2-ylmethyl)-1-[(2S,4R)-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H47FN4O5/c1-39(2,3)42-38(48)33-24-43(23-31-20-27-18-29(40)13-14-35(27)49-31)15-16-44(33)22-30(45)19-28(17-25-9-5-4-6-10-25)37(47)41-36-32-12-8-7-11-26(32)21-34(36)46/h4-14,18,20,28,30,33-34,36,45-46H,15-17,19,21-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,30+,33+,34-,36?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against wild type HIV-1 protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50109705 ((S)-4-(5-Fluoro-benzofuran-2-ylmethyl)-1-[(2S,4R)-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H47FN4O5/c1-39(2,3)42-38(48)33-24-43(23-31-20-27-18-29(40)13-14-35(27)49-31)15-16-44(33)22-30(45)19-28(17-25-9-5-4-6-10-25)37(47)41-36-32-12-8-7-11-26(32)21-34(36)46/h4-14,18,20,28,30,33-34,36,45-46H,15-17,19,21-24H2,1-3H3,(H,41,47)(H,42,48)/t28-,30+,33+,34-,36?/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against mutant HIV-1 (A-44)protease				Bioorg Med Chem Lett 12: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2348JPJ
					More data for this Ligand-Target Pair