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BDBM50140394 2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [4-(3-oxo-morpholin-4-yl)-phenyl]-amide::CHEMBL279212

SMILES: Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1

InChI Key: InChIKey=GBNYOANAAKFYIH-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50140394   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50140394
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H21ClN4O3/c1-16-12-23(30(28-16)22-7-3-17-13-19(26)4-2-18(17)14-22)25(32)27-20-5-8-21(9-6-20)29-10-11-33-15-24(29)31/h2-9,12-14H,10-11,15H2,1H3,(H,27,32)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50140394
PNG
(2-(6-Chloro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2=O)n(n1)-c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H21ClN4O3/c1-16-12-23(30(28-16)22-7-3-17-13-19(26)4-2-18(17)14-22)25(32)27-20-5-8-21(9-6-20)29-10-11-33-15-24(29)31/h2-9,12-14H,10-11,15H2,1H3,(H,27,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Coagulation factor X


Bioorg Med Chem Lett 14: 1221-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.053
BindingDB Entry DOI: 10.7270/Q2VD6XV5
More data for this
Ligand-Target Pair