BDBM1205 2-Aminobenzyl-Substituted AHPPA deriv. 22::tert-butyl N-[(2S,3R,4R)-4-({[4-({[(benzyloxy)carbonyl]amino}methyl)phenyl]methyl}amino)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylbutan-2-yl]carbamate

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=LUNVLERFNLHUJJ-HKPHLGJNSA-N

Data: 2 KI

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 = 1205   

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)	BDBM1205 (2-Aminobenzyl-Substituted AHPPA deriv. 22 | tert-b...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C41H48N4O7/c1-41(2,3)52-40(50)44-33(22-27-12-6-4-7-13-27)37(47)36(38(48)45-35-32-17-11-10-16-31(32)23-34(35)46)42-24-28-18-20-29(21-19-28)25-43-39(49)51-26-30-14-8-5-9-15-30/h4-21,33-37,42,46-47H,22-26H2,1-3H3,(H,43,49)(H,44,50)(H,45,48)/t33-,34+,35-,36+,37+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-10.9	n/a	n/a	n/a	n/a	n/a	6.25	37
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)	BDBM1205 (2-Aminobenzyl-Substituted AHPPA deriv. 22 | tert-b...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C41H48N4O7/c1-41(2,3)52-40(50)44-33(22-27-12-6-4-7-13-27)37(47)36(38(48)45-35-32-17-11-10-16-31(32)23-34(35)46)42-24-28-18-20-29(21-19-28)25-43-39(49)51-26-30-14-8-5-9-15-30/h4-21,33-37,42,46-47H,22-26H2,1-3H3,(H,43,49)(H,44,50)(H,45,48)/t33-,34+,35-,36+,37+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	19.1	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