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BDBM50337726 CHEMBL1683451::N-((2S,4S)-1-(4-(2-bromo-4-fluorophenethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide

SMILES: C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1

InChI Key: InChIKey=AFXZHRNVMMQHOL-XDHUDOTRSA-N

Data: 5 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 5 hits for monomerid = 50337726   
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-14 (MMP14)


(Homo sapiens (Human))
BDBM50337726
PNG
(CHEMBL1683451 | N-((2S,4S)-1-(4-(2-bromo-4-fluorop...)
Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1
Show InChI InChI=1S/C24H31BrF2N4O4S/c1-17(23-28-13-21(27)14-29-23)12-24(2,31(33)16-32)15-36(34,35)30-9-7-18(8-10-30)3-4-19-5-6-20(26)11-22(19)25/h5-6,11,13-14,16-18,33H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1
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n/an/a 390n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP14 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs


Bioorg Med Chem Lett 21: 1376-81 (2011)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50337726
PNG
(CHEMBL1683451 | N-((2S,4S)-1-(4-(2-bromo-4-fluorop...)
Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1
Show InChI InChI=1S/C24H31BrF2N4O4S/c1-17(23-28-13-21(27)14-29-23)12-24(2,31(33)16-32)15-36(34,35)30-9-7-18(8-10-30)3-4-19-5-6-20(26)11-22(19)25/h5-6,11,13-14,16-18,33H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs


Bioorg Med Chem Lett 21: 1376-81 (2011)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50337726
PNG
(CHEMBL1683451 | N-((2S,4S)-1-(4-(2-bromo-4-fluorop...)
Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1
Show InChI InChI=1S/C24H31BrF2N4O4S/c1-17(23-28-13-21(27)14-29-23)12-24(2,31(33)16-32)15-36(34,35)30-9-7-18(8-10-30)3-4-19-5-6-20(26)11-22(19)25/h5-6,11,13-14,16-18,33H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1
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n/an/a>8.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP1 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs


Bioorg Med Chem Lett 21: 1376-81 (2011)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50337726
PNG
(CHEMBL1683451 | N-((2S,4S)-1-(4-(2-bromo-4-fluorop...)
Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1
Show InChI InChI=1S/C24H31BrF2N4O4S/c1-17(23-28-13-21(27)14-29-23)12-24(2,31(33)16-32)15-36(34,35)30-9-7-18(8-10-30)3-4-19-5-6-20(26)11-22(19)25/h5-6,11,13-14,16-18,33H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP13 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs


Bioorg Med Chem Lett 21: 1376-81 (2011)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50337726
PNG
(CHEMBL1683451 | N-((2S,4S)-1-(4-(2-bromo-4-fluorop...)
Show SMILES C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1
Show InChI InChI=1S/C24H31BrF2N4O4S/c1-17(23-28-13-21(27)14-29-23)12-24(2,31(33)16-32)15-36(34,35)30-9-7-18(8-10-30)3-4-19-5-6-20(26)11-22(19)25/h5-6,11,13-14,16-18,33H,3-4,7-10,12,15H2,1-2H3/t17-,24-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP2 assessed as substrate cleavage by measuring increase in fluorescence after 16 hrs


Bioorg Med Chem Lett 21: 1376-81 (2011)

More data for this
Ligand-Target Pair