BindingDB logo
myBDB logout

BDBM50017933 CHEMBL3289299

SMILES: NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1

InChI Key: InChIKey=NOHCJVRIILTOOG-HZCBDIJESA-N

Data: 3 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 = 50017933   
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
Matriptase


(Homo sapiens (Human))		BDBM50017933
PNG
(CHEMBL3289299)
Show SMILES NCc1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(c2)C(=O)N[C@H]2CC[C@H](N)CC2)cc1 |r,wU:25.26,wD:28.30,(12.19,1.09,;12.19,-.45,;10.85,-1.22,;9.52,-.45,;8.19,-1.22,;8.19,-2.76,;6.85,-3.53,;6.85,-5.07,;5.52,-5.84,;5.52,-7.38,;4.19,-8.15,;2.85,-7.38,;1.52,-8.15,;.18,-7.38,;.18,-5.84,;-1.15,-5.07,;-2.48,-5.84,;1.52,-5.07,;2.85,-5.84,;6.85,-8.15,;8.19,-7.38,;8.19,-5.84,;9.52,-8.15,;9.52,-9.69,;10.85,-7.38,;12.19,-8.15,;13.52,-7.38,;14.86,-8.15,;14.86,-9.69,;16.19,-10.46,;13.52,-10.46,;12.19,-9.69,;9.52,-3.53,;10.85,-2.76,)|
Show InChI InChI=1S/C27H32N4O3/c28-16-18-1-9-23(10-2-18)33-25-13-20(27(32)31-22-7-5-21(30)6-8-22)14-26(15-25)34-24-11-3-19(17-29)4-12-24/h1-4,9-15,21-22H,5-8,16-17,28-30H2,(H,31,32)/t21-,22-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide

Bioorg Med Chem 22: 3187-203 (2014)


Article DOI: 10.1016/j.bmc.2014.04.013
BindingDB Entry DOI: 10.7270/Q2J967ZD
More data for this
Ligand-Target Pair