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BDBM326000 1-({(3R)-3-[7-amino-1-(4- phenoxyphenyl)-1H- pyrazolo[3,4-c]pyridin-3- yl]piperidin-1- yl}carbonyl)cyclopropanol::US9637486, Example 5

SMILES: Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1

InChI Key: InChIKey=MVQJRDVKNABINH-GOSISDBHSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 326000   
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))
BDBM326000
PNG
(1-({(3R)-3-[7-amino-1-(4- phenoxyphenyl)-1H- pyraz...)
Show SMILES Nc1nccc2c(nn(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1(O)CC1
Show InChI InChI=1S/C27H27N5O3/c28-25-24-22(12-15-29-25)23(18-5-4-16-31(17-18)26(33)27(34)13-14-27)30-32(24)19-8-10-21(11-9-19)35-20-6-2-1-3-7-20/h1-3,6-12,15,18,34H,4-5,13-14,16-17H2,(H2,28,29)/t18-/m1/s1
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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)

More data for this
Ligand-Target Pair