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BDBM199126 N-(4-(1-(4,6-bis((4-nitrophenyl)amino)-1,3,5-triazin-2-yl)-5-(4-methoxyphenyl)-1H-pyrazol-3-yl)phenyl)-4-methylbenzenesulphonamide (8h)

InChI string: InChI=1S/C38H30N10O7S/c1-24-3-21-33(22-4-24)56-55-54-45-29-9-5-25(6-10-29)34-23-35(26-7-19-32(53-2)20-8-26)46(44-34)38-42-36(39-27-11-15-30(16-12-27)47(49)50)41-37(43-38)40-28-13-17-31(18-14-28)48(51)52/h3-23,45H,1-2H3,(H2,39,40,41,42,43)

SMILES: COc1ccc(cc1)-c1cc(nn1-c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(Nc2ccc(cc2)[N+]([O-])=O)n1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=PQEDGQOZWUABAM-UHFFFAOYSA-N

Data: 2 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 = 199126   
Target
(Institution)
LigandTarget
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-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM199126
PNG
(N-(4-(1-(4,6-bis((4-nitrophenyl)amino)-1,3,5-triaz...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(Nc2ccc(cc2)[N+]([O-])=O)n1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C38H30N10O7S/c1-24-3-21-33(22-4-24)56-55-54-45-29-9-5-25(6-10-29)34-23-35(26-7-19-32(53-2)20-8-26)46(44-34)38-42-36(39-27-11-15-30(16-12-27)47(49)50)41-37(43-38)40-28-13-17-31(18-14-28)48(51)52/h3-23,45H,1-2H3,(H2,39,40,41,42,43)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 68.5n/an/an/an/an/an/a



Zhejiang Hospital



Assay Description
where a pro-fluorescing peptide is used as substrate, and the fluorogenic activity of its cleavage product is measured after co-incubation with the a...


Chem Biol Drug Des 88: 756-765 (2016)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-2 (MMP-2)


(Rattus norvegicus (Rat))
BDBM199126
PNG
(N-(4-(1-(4,6-bis((4-nitrophenyl)amino)-1,3,5-triaz...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(Nc2ccc(cc2)[N+]([O-])=O)n1)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C38H30N10O7S/c1-24-3-21-33(22-4-24)56-55-54-45-29-9-5-25(6-10-29)34-23-35(26-7-19-32(53-2)20-8-26)46(44-34)38-42-36(39-27-11-15-30(16-12-27)47(49)50)41-37(43-38)40-28-13-17-31(18-14-28)48(51)52/h3-23,45H,1-2H3,(H2,39,40,41,42,43)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 76.6n/an/an/an/an/an/a



Zhejiang Hospital



Assay Description
where a pro-fluorescing peptide is used as substrate, and the fluorogenic activity of its cleavage product is measured after co-incubation with the a...


Chem Biol Drug Des 88: 756-765 (2016)

More data for this
Ligand-Target Pair