BDBM50477125 CHEMBL1627210

SMILES: O[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](Cc1ccccc1)C[S+]([O-])(=N)C[C@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12

InChI Key: InChIKey=ZQDSSAWVAWKEGU-BPUVTEHRSA-N

Data: 3 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 3 hits for monomerid = 50477125   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50477125 (CHEMBL1627210) Show SMILES O[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](Cc1ccccc1)C[S+]([O-])(=N)C[C@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C38H41N3O5S/c39-47(46,23-29(19-25-11-3-1-4-12-25)37(44)40-35-31-17-9-7-15-27(31)21-33(35)42)24-30(20-26-13-5-2-6-14-26)38(45)41-36-32-18-10-8-16-28(32)22-34(36)43/h1-18,29-30,33-36,42-43H,19-24H2,(H3-,39,40,41,44,45,46)/t29-,30-,33-,34-,35+,36+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease				Bioorg Med Chem Lett 17: 5614-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.095 BindingDB Entry DOI: 10.7270/Q2J9694G
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50477125 (CHEMBL1627210) Show SMILES O[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](Cc1ccccc1)C[S+]([O-])(=N)C[C@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C38H41N3O5S/c39-47(46,23-29(19-25-11-3-1-4-12-25)37(44)40-35-31-17-9-7-15-27(31)21-33(35)42)24-30(20-26-13-5-2-6-14-26)38(45)41-36-32-18-10-8-16-28(32)22-34(36)43/h1-18,29-30,33-36,42-43H,19-24H2,(H3-,39,40,41,44,45,46)/t29-,30-,33-,34-,35+,36+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant HIV1 protease by fluorescence assay				Bioorg Med Chem 18: 2037-48 (2010) Article DOI: 10.1016/j.bmc.2010.01.020 BindingDB Entry DOI: 10.7270/Q251422R
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50477125 (CHEMBL1627210) Show SMILES O[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](Cc1ccccc1)C[S+]([O-])(=N)C[C@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C38H41N3O5S/c39-47(46,23-29(19-25-11-3-1-4-12-25)37(44)40-35-31-17-9-7-15-27(31)21-33(35)42)24-30(20-26-13-5-2-6-14-26)38(45)41-36-32-18-10-8-16-28(32)22-34(36)43/h1-18,29-30,33-36,42-43H,19-24H2,(H3-,39,40,41,44,45,46)/t29-,30-,33-,34-,35+,36+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem Lett 18: 5406-10 (2008) Article DOI: 10.1016/j.bmcl.2008.09.044 BindingDB Entry DOI: 10.7270/Q29K4F1M
					More data for this Ligand-Target Pair