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BDBM50229897 CHEMBL314007

SMILES: Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1

InChI Key: InChIKey=VALGCIZQXXKDDI-RMKNXTFCSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50229897   
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
Myeloperoxidase (MPO)


(Homo sapiens (Human))
BDBM50229897
PNG
(CHEMBL314007)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the induction of nonspecific myeloperoxidase (MPO) release


J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor


(Homo sapiens (Human))
BDBM50229897
PNG
(CHEMBL314007)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3C(F)(F)F)ccc2n1
Show InChI InChI=1S/C20H16F3N3O/c1-12-10-17(24)15-11-14(7-8-18(15)25-12)26-19(27)9-6-13-4-2-3-5-16(13)20(21,22)23/h2-11H,1H3,(H2,24,25)(H,26,27)/b9-6+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.


J Med Chem 35: 252-8 (1992)


Article DOI: 10.1021/jm00080a008
More data for this
Ligand-Target Pair