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BDBM50324120 CHEMBL4176634

SMILES: Nc1ccccc1NC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(Cl)c1

InChI Key: InChIKey=IYCKUCMXKKOCGG-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324120   
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
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50324120
PNG
(CHEMBL4176634)
Show SMILES Nc1ccccc1NC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(Cl)c1
Show InChI InChI=1S/C29H29ClF3N3O5S/c30-22-17-21(9-10-25(22)40-19-5-7-20(8-6-19)41-29(31,32)33)42(38,39)28(12-11-27(18-28)13-15-35-16-14-27)26(37)36-24-4-2-1-3-23(24)34/h1-10,17,35H,11-16,18,34H2,(H,36,37)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP10 (unknown origin) using fluorescently-labeled substrate measured every min for 1 min


ACS Med Chem Lett 9: 428-433 (2018)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50324120
PNG
(CHEMBL4176634)
Show SMILES Nc1ccccc1NC(=O)C1(CCC2(C1)CCNCC2)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)c(Cl)c1
Show InChI InChI=1S/C29H29ClF3N3O5S/c30-22-17-21(9-10-25(22)40-19-5-7-20(8-6-19)41-29(31,32)33)42(38,39)28(12-11-27(18-28)13-15-35-16-14-27)26(37)36-24-4-2-1-3-23(24)34/h1-10,17,35H,11-16,18,34H2,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin) using fluorescently-labeled substrate measured every min for 1 min


ACS Med Chem Lett 9: 428-433 (2018)

More data for this
Ligand-Target Pair