BDBM50285982 CHEMBL316717::[(1R,2R)-3-((3aR,6S,7aS)-6-tert-Butylcarbamoyl-hexahydro-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-1-phenylsulfanylmethyl-propyl]-carbamic acid (2S,3S)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester

SMILES: CC(C)[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=ZYXJGWBYPOHODT-KWCHKHDGSA-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 = 50285982   

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)	BDBM50285982 (CHEMBL316717 | [(1R,2R)-3-((3aR,6S,7aS)-6-tert-But...) Show SMILES CC(C)[C@H]1[C@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C30H47N3O6S3/c1-19(2)27-25(12-14-42(27,37)38)39-29(36)31-22(18-41-21-9-7-6-8-10-21)24(34)17-33-16-20-11-13-40-26(20)15-23(33)28(35)32-30(3,4)5/h6-10,19-20,22-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t20-,22+,23+,24-,25+,26+,27+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories					Assay Description In vitro inhibition of HIV-1 protease.				Bioorg Med Chem Lett 5: 2891-6 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q2T43R7T
					More data for this Ligand-Target Pair