BDBM1225 2-Aminobenzyl-Substituted AHPPA deriv. 43::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-({[4-(acetamidomethyl)phenyl]methyl}amino)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES: CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=IEUIJGWCRLTETI-QAQBJLFZSA-N

Data: 2 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 = 1225   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1225 (2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...) Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C44H53N5O7/c1-28(50)45-25-30-19-21-31(22-20-30)26-46-38(41(53)48-37-34-18-12-11-17-33(34)24-36(37)51)39(52)35(23-29-13-7-5-8-14-29)47-42(54)40(44(2,3)4)49-43(55)56-27-32-15-9-6-10-16-32/h5-22,35-40,46,51-52H,23-27H2,1-4H3,(H,45,50)(H,47,54)(H,48,53)(H,49,55)/t35-,36+,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM1225 (2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...) Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C44H53N5O7/c1-28(50)45-25-30-19-21-31(22-20-30)26-46-38(41(53)48-37-34-18-12-11-17-33(34)24-36(37)51)39(52)35(23-29-13-7-5-8-14-29)47-42(54)40(44(2,3)4)49-43(55)56-27-32-15-9-6-10-16-32/h5-22,35-40,46,51-52H,23-27H2,1-4H3,(H,45,50)(H,47,54)(H,48,53)(H,49,55)/t35-,36+,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair