BDBM50277157 CHEMBL4173240

SMILES: CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSCc2ccccc2)[C@H]1O

InChI Key: InChIKey=RMKLBUZBMKWXOZ-FNQTVZJVSA-N

Data: 2 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 2 hits for monomerid = 50277157   

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
Aminopeptidase (Homo sapiens (Human))	BDBM50277157 (CHEMBL4173240) Show SMILES CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSCc2ccccc2)[C@H]1O |r| Show InChI InChI=1S/C22H29N7O4S/c1-28(2)19-17-20(25-11-24-19)29(12-26-17)22-18(31)16(15(8-30)33-22)27-21(32)14(23)10-34-9-13-6-4-3-5-7-13/h3-7,11-12,14-16,18,22,30-31H,8-10,23H2,1-2H3,(H,27,32)/t14-,15-,16-,18-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His10-tagged APN (Lys69 to Lys967 residues) using Ala-AMC as substrate measured for 30 mins by fluorescenc...				Eur J Med Chem 139: 325-336 (2017) Article DOI: 10.1016/j.ejmech.2017.07.048 BindingDB Entry DOI: 10.7270/Q2FT8PJD
					More data for this Ligand-Target Pair
Aminopeptidase (Homo sapiens (Human))	BDBM50277157 (CHEMBL4173240) Show SMILES CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H](N)CSCc2ccccc2)[C@H]1O |r| Show InChI InChI=1S/C22H29N7O4S/c1-28(2)19-17-20(25-11-24-19)29(12-26-17)22-18(31)16(15(8-30)33-22)27-21(32)14(23)10-34-9-13-6-4-3-5-7-13/h3-7,11-12,14-16,18,22,30-31H,8-10,23H2,1-2H3,(H,27,32)/t14-,15-,16-,18-,22-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-MBP-tagged PSA expressed in Escherichia coli BL21 STAR (DE3) using 4-Ala-MNA as substrate measured fo...				Eur J Med Chem 139: 325-336 (2017) Article DOI: 10.1016/j.ejmech.2017.07.048 BindingDB Entry DOI: 10.7270/Q2FT8PJD
					More data for this Ligand-Target Pair