BDBM50041949 4N-{2-[5-ethylcarbamoyl(5-methyl-3-phenyl-4-isoxazolylcarboxamido)methyl-2,2,4-trimethyl-(3S,5S)-tetrahydro-3-thiophenylcarboxamido]ethyl}-2-ethylcarbamoyl(5-methyl-3-phenyl-4-isoxazolylcarboxamido)methyl-5,5-dimethyl-(2R,4S)-1,3-thiazolane::CHEMBL319400

SMILES: CCNC(=O)[C@@H](NC(=O)c1c(C)onc1-c1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)c2c(C)onc2-c2ccccc2)C(=O)NCC)C(C)(C)S1

InChI Key: InChIKey=HKLUQPHPQBDWEO-FWMQMFDLSA-N

Data: 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 = 50041949   

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)	BDBM50041949 (4N-{2-[5-ethylcarbamoyl(5-methyl-3-phenyl-4-isoxaz...) Show SMILES CCNC(=O)[C@@H](NC(=O)c1c(C)onc1-c1ccccc1)[C@@H]1NC(C(=O)NCCNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)c2c(C)onc2-c2ccccc2)C(=O)NCC)C(C)(C)S1 Show InChI InChI=1S/C44H56N10O8S2/c1-9-45-37(57)31(49-35(55)27-23(3)61-53-29(27)25-17-13-11-14-18-25)41-51-33(43(5,6)63-41)39(59)47-21-22-48-40(60)34-44(7,8)64-42(52-34)32(38(58)46-10-2)50-36(56)28-24(4)62-54-30(28)26-19-15-12-16-20-26/h11-20,31-34,41-42,51-52H,9-10,21-22H2,1-8H3,(H,45,57)(H,46,58)(H,47,59)(H,48,60)(H,49,55)(H,50,56)/t31-,32-,33+,34?,41-,42-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Limited Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Protease				J Med Chem 36: 3113-9 (1993) BindingDB Entry DOI: 10.7270/Q2057F0C
					More data for this Ligand-Target Pair