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SMILES: Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=BIRLBQULISTSMZ-GOSISDBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 326211   
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))		BDBM326211
PNG
(3-[(3R)-1- acryloylpiperidin-3-yl]-1- (4-phenoxyph...)
Show SMILES Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C26H25N5O2/c1-2-23(32)30-16-6-7-18(17-30)24-22-14-15-28-26(27)25(22)31(29-24)19-10-12-21(13-11-19)33-20-8-4-3-5-9-20/h2-5,8-15,18H,1,6-7,16-17H2,(H2,27,28)/t18-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.660n/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