BDBM50029533 (2-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester::CHEMBL16359

SMILES: CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O

InChI Key: InChIKey=JGEWEYMENDBLHO-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50029533   

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)	BDBM50029533 ((2-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-h...) Show SMILES CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C29H38N2O6/c1-29(2,3)37-28(35)30-16-15-23(32)31-20-10-8-9-19(17-20)24(18-13-14-18)25-26(33)21-11-6-4-5-7-12-22(21)36-27(25)34/h8-10,17-18,24,33H,4-7,11-16H2,1-3H3,(H,30,35)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV-I protease.				J Med Chem 38: 4463-73 (1995) BindingDB Entry DOI: 10.7270/Q2MP529V
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50029533 ((2-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-h...) Show SMILES CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O Show InChI InChI=1S/C29H38N2O6/c1-29(2,3)37-28(35)30-16-15-23(32)31-20-10-8-9-19(17-20)24(18-13-14-18)25-26(33)21-11-6-4-5-7-12-22(21)36-27(25)34/h8-10,17-18,24,33H,4-7,11-16H2,1-3H3,(H,30,35)(H,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Antiviral activity against HIV-I infected H9 cells				J Med Chem 38: 4463-73 (1995) BindingDB Entry DOI: 10.7270/Q2MP529V
					More data for this Ligand-Target Pair