BDBM97448 Aspartyl protease inhibitor, 14

SMILES: CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=PHHRXBGEVPAXDL-XIJSCUBXSA-O

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 = 97448   

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
Cathepsin D (Homo sapiens (Human))	BDBM97448 (Aspartyl protease inhibitor, 14) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-24(2)19-37(42(39,40)31-15-13-30(34)14-16-31)22-29-18-35-17-28(29)21-36(20-27-11-6-5-7-12-27)32(38)23-41-33-25(3)9-8-10-26(33)4/h5-16,24,28-29,35H,17-23,34H2,1-4H3/p+1/t28?,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus type 1 (HIV-1))	BDBM97448 (Aspartyl protease inhibitor, 14) Show SMILES CC(C)CN(C[C@@H]1C[NH2+]CC1CN(Cc1ccccc1)C(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O4S/c1-24(2)19-37(42(39,40)31-15-13-30(34)14-16-31)22-29-18-35-17-28(29)21-36(20-27-11-6-5-7-12-27)32(38)23-41-33-25(3)9-8-10-26(33)4/h5-16,24,28-29,35H,17-23,34H2,1-4H3/p+1/t28?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	5.5	n/a
Philipps-Universität Marburg					Assay Description Binding constants for inhibition of HIV protease were determined as previously described.				ChemMedChem 1: 106-17 (2006) Article DOI: 10.1002/cmdc.200500008 BindingDB Entry DOI: 10.7270/Q228067M
					More data for this Ligand-Target Pair