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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'BMP-2-inducible protein kinase' and Ligand = 'BDBM50511383'   
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
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511383
PNG
(CHEMBL4531680)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Displacement of Alexafluor labelled kinase tracer236 from biotinylated C-terminal Avi-tagged BMP2K kinase domain (38 to 345 residues) (unknown origin...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair
BMP-2-inducible protein kinase


(Homo sapiens (Human))
BDBM50511383
PNG
(CHEMBL4531680)
Show SMILES CCN(C)S(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Show InChI InChI=1S/C20H23N5O3S/c1-3-25(2)29(27,28)24-16-6-4-5-14(11-16)15-9-10-17-18(12-15)22-23-19(17)21-20(26)13-7-8-13/h4-6,9-13,24H,3,7-8H2,1-2H3,(H2,21,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.89E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill (UNC-CH)

Curated by ChEMBL


Assay Description
Inhibition of tracer K5 binding to N-terminal nano luciferase-fused BMP2K (unknown origin) expressed in HEK293 cells incubated for 2 hrs followed by ...


ACS Med Chem Lett 11: 340-345 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00399
BindingDB Entry DOI: 10.7270/Q2ZC8669
More data for this
Ligand-Target Pair