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BDBM390006 4-amino-1-[(3R)-1- (cyclopropanecarbonyl)-3- piperidyl]-3-(4-phenoxyphenyl)-6H- pyrrolo[2,3-d]pyridazin-7-one::US10323037, Example 23::US9951077, 23

SMILES: Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1

InChI Key: InChIKey=YHJHMXWLLKPMQO-LJQANCHMSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 390006   
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))
BDBM390006
PNG
(4-amino-1-[(3R)-1- (cyclopropanecarbonyl)-3- piper...)
Show SMILES Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C27H27N5O3/c28-25-23-22(17-10-12-21(13-11-17)35-20-6-2-1-3-7-20)16-32(24(23)26(33)30-29-25)19-5-4-14-31(15-19)27(34)18-8-9-18/h1-3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,(H2,28,29)(H,30,33)/t19-/m1/s1
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 505n/an/an/an/an/an/a



JIANGSU HENGRUI MEDICINE CO., LTD.

US Patent


Assay Description
The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...


US Patent US10323037 (2019)


BindingDB Entry DOI: 10.7270/Q2W098BW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM390006
PNG
(4-amino-1-[(3R)-1- (cyclopropanecarbonyl)-3- piper...)
Show SMILES Nc1n[nH]c(=O)c2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C27H27N5O3/c28-25-23-22(17-10-12-21(13-11-17)35-20-6-2-1-3-7-20)16-32(24(23)26(33)30-29-25)19-5-4-14-31(15-19)27(34)18-8-9-18/h1-3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,(H2,28,29)(H,30,33)/t19-/m1/s1
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 505n/an/an/an/an/an/a



GSK



Assay Description
The Btk kinase assay was performed using a ADP-Glo Btk kinase assay kit purchased from Promega (Madison, Wis.). The assay was conducted according to ...


Bioorg Med Chem Lett 17: 3972-7 (2007)


BindingDB Entry DOI: 10.7270/Q2MG7RV0
More data for this
Ligand-Target Pair