BDBM1227 2-Aminobenzyl-Substituted AHPPA deriv. 45::benzyl N-[(1S)-1-{[(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]carbamoyl}-2,2-dimethylpropyl]carbamate

SMILES: CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=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=DWNJFAZEABXSLP-WEQIQEPWSA-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 = 1227   

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)	BDBM1227 (2-Aminobenzyl-Substituted AHPPA deriv. 45 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=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/C50H57N5O8/c1-50(2,3)45(55-49(61)63-32-37-19-11-6-12-20-37)47(59)53-40(27-33-15-7-4-8-16-33)44(57)43(46(58)54-42-39-22-14-13-21-38(39)28-41(42)56)51-29-34-23-25-35(26-24-34)30-52-48(60)62-31-36-17-9-5-10-18-36/h4-26,40-45,51,56-57H,27-32H2,1-3H3,(H,52,60)(H,53,59)(H,54,58)(H,55,61)/t40-,41+,42-,43+,44+,45+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	142	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)	BDBM1227 (2-Aminobenzyl-Substituted AHPPA deriv. 45 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=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/C50H57N5O8/c1-50(2,3)45(55-49(61)63-32-37-19-11-6-12-20-37)47(59)53-40(27-33-15-7-4-8-16-33)44(57)43(46(58)54-42-39-22-14-13-21-38(39)28-41(42)56)51-29-34-23-25-35(26-24-34)30-52-48(60)62-31-36-17-9-5-10-18-36/h4-26,40-45,51,56-57H,27-32H2,1-3H3,(H,52,60)(H,53,59)(H,54,58)(H,55,61)/t40-,41+,42-,43+,44+,45+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	10	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