BDBM50360478 CHEMBL1934754

SMILES: Cc1cn([C@H]2C[C@H](N)[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=DFRQRAUPWLJNAQ-CGTJXYLNSA-N

Data: 1 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 1 hit for monomerid = 50360478   

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
Adenosine 5'-monophosphoramidase HINT1 (Homo sapiens (Human))	BDBM50360478 (CHEMBL1934754) Show SMILES Cc1cn([C@H]2C[C@H](N)[C@@H](COC(=O)NCCc3c[nH]c4ccccc34)O2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C21H25N5O5/c1-12-10-26(20(28)25-19(12)27)18-8-15(22)17(31-18)11-30-21(29)23-7-6-13-9-24-16-5-3-2-4-14(13)16/h2-5,9-10,15,17-18,24H,6-8,11,22H2,1H3,(H,23,29)(H,25,27,28)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Non-competitive inhibition of human HinT1 using tryptamine 5'-adenosine phosphoramidate as substrate compound pre-incubated for 30 secs prior substra...				Bioorg Med Chem Lett 22: 558-60 (2011) Article DOI: 10.1016/j.bmcl.2011.10.082 BindingDB Entry DOI: 10.7270/Q2DF6RP5
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