BDBM1228 2-Aminobenzyl-Substituted AHPPA deriv. 46::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(4-{[3-(1H-1,3-benzodiazol-2-yl)propanamido]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)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=WLPYQKOORKCFAL-GTILRSHLSA-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 = 1228   

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)	BDBM1228 (2-Aminobenzyl-Substituted AHPPA deriv. 46 | 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)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C52H59N7O7/c1-52(2,3)48(59-51(65)66-32-36-16-8-5-9-17-36)50(64)57-41(28-33-14-6-4-7-15-33)47(62)46(49(63)58-45-38-19-11-10-18-37(38)29-42(45)60)54-31-35-24-22-34(23-25-35)30-53-44(61)27-26-43-55-39-20-12-13-21-40(39)56-43/h4-25,41-42,45-48,54,60,62H,26-32H2,1-3H3,(H,53,61)(H,55,56)(H,57,64)(H,58,63)(H,59,65)/t41-,42+,45-,46+,47+,48+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.07	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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM1228 (2-Aminobenzyl-Substituted AHPPA deriv. 46 | 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)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C52H59N7O7/c1-52(2,3)48(59-51(65)66-32-36-16-8-5-9-17-36)50(64)57-41(28-33-14-6-4-7-15-33)47(62)46(49(63)58-45-38-19-11-10-18-37(38)29-42(45)60)54-31-35-24-22-34(23-25-35)30-53-44(61)27-26-43-55-39-20-12-13-21-40(39)56-43/h4-25,41-42,45-48,54,60,62H,26-32H2,1-3H3,(H,53,61)(H,55,56)(H,57,64)(H,58,63)(H,59,65)/t41-,42+,45-,46+,47+,48+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	161	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