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BDBM50229904 CHEMBL87465

SMILES: Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1

InChI Key: InChIKey=UIRKQLPJWDHWTE-SOFGYWHQSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50229904   
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))
BDBM50229904
PNG
(CHEMBL87465)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C19H15Cl2N3O/c1-11-9-17(22)14-10-12(5-7-18(14)23-11)24-19(25)8-6-13-15(20)3-2-4-16(13)21/h2-10H,1H3,(H2,22,23)(H,24,25)/b8-6+
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))
BDBM50229904
PNG
(CHEMBL87465)
Show SMILES Cc1cc(N)c2cc(NC(=O)\C=C\c3c(Cl)cccc3Cl)ccc2n1
Show InChI InChI=1S/C19H15Cl2N3O/c1-11-9-17(22)14-10-12(5-7-18(14)23-11)24-19(25)8-6-13-15(20)3-2-4-16(13)21/h2-10H,1H3,(H2,22,23)(H,24,25)/b8-6+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8n/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