BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12CN[C@@H](C)[C@]1([H])C[C@](N)([C@H]2CCCB(O)O)C(O)=O

InChI Key: InChIKey=HNDFLCAVHKKXRH-LIJGXYGRSA-N

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 = 50538529   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Arginase-1


(Homo sapiens (Human))		BDBM50538529
PNG
(CHEMBL4637242)
Show SMILES [H][C@@]12CN[C@@H](C)[C@]1([H])C[C@](N)([C@H]2CCCB(O)O)C(O)=O |r|
Show InChI InChI=1S/C12H23BN2O4/c1-7-8-5-12(14,11(16)17)10(9(8)6-15-7)3-2-4-13(18)19/h7-10,15,18-19H,2-6,14H2,1H3,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 81n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human arginase1 in presence of DNTB by thio ornithine generation assay

ACS Med Chem Lett 11: 582-588 (2020)

More data for this
Ligand-Target Pair