BindingDB logo
myBDB logout

null

SMILES: COCCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12

InChI Key: InChIKey=TVQBVUSCADSMFR-LJQANCHMSA-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 = 326004   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM326004
PNG
(3-[(3R)-1-(3- methoxypropanoyl)piperidin- 3-yl]-1-...)
Show SMILES COCCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccc12
Show InChI InChI=1S/C27H29N5O3/c1-34-17-14-24(33)31-16-5-6-19(18-31)25-23-13-15-29-27(28)26(23)32(30-25)20-9-11-22(12-10-20)35-21-7-3-2-4-8-21/h2-4,7-13,15,19H,5-6,14,16-18H2,1H3,(H2,28,29)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
In this assay, the potency (IC50) of each compound was determined from an eleven point (1:3 serial dilution; final compound concentration range in as...

US Patent US9637486 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3H4H
More data for this
Ligand-Target Pair