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BDBM50343948 (5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(pyridin-2-yl)thiophen-2-yl)methanone::CHEMBL1778666::rac-(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(pyridin-2-yl)thiophen-2-yl)methanone

SMILES: Oc1ccccc1C1CC(=NN1C(=O)c1ccc(s1)-c1ccccn1)c1cccnc1

InChI Key: InChIKey=QPGIWMWTJYDFOF-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 = 50343948   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50343948
PNG
((5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccc(s1)-c1ccccn1)c1cccnc1 |c:10|
Show InChI InChI=1S/C24H18N4O2S/c29-21-9-2-1-7-17(21)20-14-19(16-6-5-12-25-15-16)27-28(20)24(30)23-11-10-22(31-23)18-8-3-4-13-26-18/h1-13,15,20,29H,14H2
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MMDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of B-Raf


Bioorg Med Chem Lett 20: 4800-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.113
BindingDB Entry DOI: 10.7270/Q2MP53M9
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50343948
PNG
((5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-...)
Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccc(s1)-c1ccccn1)c1cccnc1 |c:10|
Show InChI InChI=1S/C24H18N4O2S/c29-21-9-2-1-7-17(21)20-14-19(16-6-5-12-25-15-16)27-28(20)24(30)23-11-10-22(31-23)18-8-3-4-13-26-18/h1-13,15,20,29H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-Raf


Bioorg Med Chem Lett 20: 4800-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.113
BindingDB Entry DOI: 10.7270/Q2MP53M9
More data for this
Ligand-Target Pair