BDBM1214 (2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}butanamido]-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-{[(4-methoxyphenyl)methyl]amino}-5-phenylpentanamide::2-Aminobenzyl-Substituted AHPPA deriv. 30

SMILES: COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnc(C)s2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=KFHIVQMHNDDSKC-IOSIPAJPSA-N

Data: 1 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 1 hit for monomerid = 1214   

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)	BDBM1214 ((2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(5-methyl-1,...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnc(C)s2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C39H48N6O6S2/c1-23-44-45-38(53-23)52-22-31(47)42-35(39(2,3)4)37(50)41-29(19-24-11-7-6-8-12-24)34(48)33(40-21-25-15-17-27(51-5)18-16-25)36(49)43-32-28-14-10-9-13-26(28)20-30(32)46/h6-18,29-30,32-35,40,46,48H,19-22H2,1-5H3,(H,41,50)(H,42,47)(H,43,49)/t29-,30+,32-,33+,34+,35+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	178	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