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BDBM174024 US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-4-(9H-purin-6-yl)-1H-pyrrole-2-carboxamide (compd 245)

SMILES: NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]cnc12

InChI Key: InChIKey=ZMEBQCWGPNPVIQ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 174024   
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 JAK2


(Homo sapiens (Human))
BDBM174024
PNG
(US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]cnc12
Show InChI InChI=1S/C17H10ClF3N6O/c18-10-2-1-9(17(19,20)21)4-11(10)27-5-8(3-12(27)15(22)28)13-14-16(25-6-23-13)26-7-24-14/h1-7H,(H2,22,28)(H,23,24,25,26)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 27n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...


US Patent US9688661 (2017)


Article DOI: 10.1021/jm970081i
BindingDB Entry DOI: 10.7270/Q2K35RTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 (JAK1)


(Homo sapiens (Human))
BDBM174024
PNG
(US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...)
Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]cnc12
Show InChI InChI=1S/C17H10ClF3N6O/c18-10-2-1-9(17(19,20)21)4-11(10)27-5-8(3-12(27)15(22)28)13-14-16(25-6-23-13)26-7-24-14/h1-7H,(H2,22,28)(H,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 386n/an/an/an/an/an/a



Nerviano Medical Sciences srl

US Patent


Assay Description
Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...


US Patent US9688661 (2017)


Article DOI: 10.1021/jm970081i
BindingDB Entry DOI: 10.7270/Q2K35RTP
More data for this
Ligand-Target Pair