BDBM1193 (2R,3S,4S,1 S,2 R)-4-[[(1,1-Dimethylethoxy0carbonyl]amino]-3-hydroxy-2-[(4-methoxybenzyl)amino]-5-phenylpentan(2 -hydroxy-1 indanyl)amide::2-Aminobenzyl-Substituted AHPPA deriv. 7::tert-butyl N-[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamate

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=VSKGJQQOHQMSIK-PGVCKJCBSA-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 = 1193   

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)	BDBM1193 ((2R,3S,4S,1 S,2 R)-4-[[(1,1-Dimethylethoxy0carbony...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H41N3O6/c1-33(2,3)42-32(40)35-26(18-21-10-6-5-7-11-21)30(38)29(34-20-22-14-16-24(41-4)17-15-22)31(39)36-28-25-13-9-8-12-23(25)19-27(28)37/h5-17,26-30,34,37-38H,18-20H2,1-4H3,(H,35,40)(H,36,39)/t26-,27+,28-,29+,30+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	-10.2	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)	BDBM1193 ((2R,3S,4S,1 S,2 R)-4-[[(1,1-Dimethylethoxy0carbony...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H41N3O6/c1-33(2,3)42-32(40)35-26(18-21-10-6-5-7-11-21)30(38)29(34-20-22-14-16-24(41-4)17-15-22)31(39)36-28-25-13-9-8-12-23(25)19-27(28)37/h5-17,26-30,34,37-38H,18-20H2,1-4H3,(H,35,40)(H,36,39)/t26-,27+,28-,29+,30+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	147	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