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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50533652   
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))
BDBM50533652
PNG
(CHEMBL4543505)
Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccc(F)cc2C1=O
Show InChI InChI=1S/C31H26FN3O3/c1-16-20(5-4-6-26(16)35-15-17-7-9-19(32)14-24(17)30(35)37)21-11-12-23(29(33)36)28-27(21)22-10-8-18(31(2,3)38)13-25(22)34-28/h4-14,34,38H,15H2,1-3H3,(H2,33,36)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of His-tagged full length human recombinant BTK expressed in baculovirus using fluoresceinated peptide substrate after 60 mins by fluoresc...


J Med Chem 59: 7915-35 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00722
BindingDB Entry DOI: 10.7270/Q24Q7ZGM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50533652
PNG
(CHEMBL4543505)
Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccc(F)cc2C1=O
Show InChI InChI=1S/C31H26FN3O3/c1-16-20(5-4-6-26(16)35-15-17-7-9-19(32)14-24(17)30(35)37)21-11-12-23(29(33)36)28-27(21)22-10-8-18(31(2,3)38)13-25(22)34-28/h4-14,34,38H,15H2,1-3H3,(H2,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human RamosB cells assessed as suppression of BCR/anti-IgM stimulated calcium flux pre-incubated for 1 hr followed by BCR/anti-I...


J Med Chem 59: 7915-35 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00722
BindingDB Entry DOI: 10.7270/Q24Q7ZGM
More data for this
Ligand-Target Pair