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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM397244'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397244
PNG
(US10828300, Compound I-200 | US11351168, Compound ...)
Show SMILES COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C27H23N5O4/c1-3-24(33)29-19-11-8-14-22(16-19)36-26-23(25(34)30-18-9-5-4-6-10-18)17-28-27(32-26)31-20-12-7-13-21(15-20)35-2/h3-17H,1H2,2H3,(H,29,33)(H,30,34)(H,28,31,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


US Patent US10828300 (2020)


BindingDB Entry DOI: 10.7270/Q2JS9THK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM397244
PNG
(US10828300, Compound I-200 | US11351168, Compound ...)
Show SMILES COc1cccc(Nc2ncc(C(=O)Nc3ccccc3)c(Oc3cccc(NC(=O)C=C)c3)n2)c1
Show InChI InChI=1S/C27H23N5O4/c1-3-24(33)29-19-11-8-14-22(16-19)36-26-23(25(34)30-18-9-5-4-6-10-18)17-28-27(32-26)31-20-12-7-13-21(15-20)35-2/h3-17H,1H2,2H3,(H,29,33)(H,30,34)(H,28,31,32)
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<100n/an/an/an/an/an/a


TBA

Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X92FHZ
More data for this
Ligand-Target Pair