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SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@H]1CC[C@H](O)CC1

InChI Key: InChIKey=BZSLNPURWCFGSK-XGAFWQRZSA-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 = 267477   
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))
BDBM267477
PNG
(4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.42,-.44,;-3.42,-1.98,;-4.75,-2.75,;-4.75,-4.29,;-3.42,-5.06,;-2.08,-4.29,;-.62,-4.77,;.29,-3.52,;-.62,-2.27,;-.22,-.79,;1.27,-.39,;1.67,1.1,;.58,2.19,;-.91,1.79,;-1.31,.3,;.98,3.68,;-.11,4.77,;2.46,4.08,;2.86,5.56,;1.77,6.65,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;1.08,9.23,;.69,10.72,;-.4,9.63,;-2.08,-2.75,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,)|
Show InChI InChI=1S/C27H28N6O2/c28-25-24-23(32-26(33(24)14-13-30-25)18-7-9-21(34)10-8-18)17-3-5-19(6-4-17)27(35)31-22-15-20(11-12-29-22)16-1-2-16/h3-6,11-16,18,21,34H,1-2,7-10H2,(H2,28,30)(H,29,31,35)/t18-,21-
PDB
MMDB

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KEGG

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PC cid
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UniChem
US Patent
n/an/an/an/a<10n/an/a7.225



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair