BDBM1223 2-Aminobenzyl-Substituted AHPPA deriv. 41::benzyl N-[(1S)-1-{[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-({[4-(2-hydroxyethoxy)phenyl]methyl}amino)-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(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=LNAQPEWQEFYFFM-XMBNWINWSA-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 = 1223   

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)	BDBM1223 (2-Aminobenzyl-Substituted AHPPA deriv. 41 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C43H52N4O8/c1-43(2,3)39(47-42(53)55-27-30-14-8-5-9-15-30)41(52)45-34(24-28-12-6-4-7-13-28)38(50)37(44-26-29-18-20-32(21-19-29)54-23-22-48)40(51)46-36-33-17-11-10-16-31(33)25-35(36)49/h4-21,34-39,44,48-50H,22-27H2,1-3H3,(H,45,52)(H,46,51)(H,47,53)/t34-,35+,36-,37+,38+,39+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	15.8	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)	BDBM1223 (2-Aminobenzyl-Substituted AHPPA deriv. 41 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C43H52N4O8/c1-43(2,3)39(47-42(53)55-27-30-14-8-5-9-15-30)41(52)45-34(24-28-12-6-4-7-13-28)38(50)37(44-26-29-18-20-32(21-19-29)54-23-22-48)40(51)46-36-33-17-11-10-16-31(33)25-35(36)49/h4-21,34-39,44,48-50H,22-27H2,1-3H3,(H,45,52)(H,46,51)(H,47,53)/t34-,35+,36-,37+,38+,39+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	n/a	155	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