BDBM939 5PhBuCOOH deriv.::Statine deriv. 19::Tle-Val-Sta::benzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}ethyl]carbamate

SMILES: CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=DCQDUHWLKDMVNO-QRXXMQSMSA-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 = 939   

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)	BDBM939 (5PhBuCOOH deriv. | Statine deriv. 19 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H49N5O6/c1-28(2)35(39(49)43-26-32-20-12-6-13-21-32)46-40(50)36(42-25-31-18-10-5-11-19-31)37(47)34(24-30-16-8-4-9-17-30)45-38(48)29(3)44-41(51)52-27-33-22-14-7-15-23-33/h4-23,28-29,34-37,42,47H,24-27H2,1-3H3,(H,43,49)(H,44,51)(H,45,48)(H,46,50)/t29-,34-,35-,36+,37+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	33.9	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)	BDBM939 (5PhBuCOOH deriv. | Statine deriv. 19 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H49N5O6/c1-28(2)35(39(49)43-26-32-20-12-6-13-21-32)46-40(50)36(42-25-31-18-10-5-11-19-31)37(47)34(24-30-16-8-4-9-17-30)45-38(48)29(3)44-41(51)52-27-33-22-14-7-15-23-33/h4-23,28-29,34-37,42,47H,24-27H2,1-3H3,(H,43,49)(H,44,51)(H,45,48)(H,46,50)/t29-,34-,35-,36+,37+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	34	-10.6	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					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 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair