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BDBM50131942 2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2H-pyrido[1,2-a][1,3,5]triazin-3-ylmethyl)-cyclopentanecarboxylic acid::CHEMBL338877

SMILES: OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=QOOGIVWLICWQOB-HARLFGEKSA-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 = 50131942   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50131942
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1
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PubMed
n/an/a 27n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP13)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131942
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50131942
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1
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n/an/a 134n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP3)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50131942
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP1)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50131942
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2...)
Show SMILES OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H22ClN3O4S/c27-19-9-4-16(5-10-19)17-6-11-20(12-7-17)35-21-13-8-18(23(21)24(31)32)15-30-25(33)28-22-3-1-2-14-29(22)26(30)34/h1-7,9-12,14,18,21,23H,8,13,15H2,(H,31,32)/t18-,21-,23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair