new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 578 hits with Last Name = 'kori' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM50025190
PNG
(CHEMBL3337899)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)10-25-22(31)19-27-21(30)18-16(12-35-23(18)28-19)11-26-20(29)14-5-7-15(8-6-14)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50203953
PNG
(CHEMBL3932562)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(=O)NO |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50102750
PNG
(CHEMBL3359091)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)36-12-11-15-5-7-17(8-6-15)26(33)34/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.00390n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50102750
PNG
(CHEMBL3359091)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)36-12-11-15-5-7-17(8-6-15)26(33)34/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.00390n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50025188
PNG
(CHEMBL3337897)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)11-25-22(31)20-27-21(30)19-15(12-35-23(19)28-20)10-18(29)26-16-7-5-14(6-8-16)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00500n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025160
PNG
(CHEMBL3337894)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H21N3O6S/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31/h2-9,13H,10-12H2,1H3,(H,25,29)(H,30,31)(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00690n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025192
PNG
(CHEMBL3337901)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-26-22(31)19-27-21(30)18-17(12-35-23(18)28-19)20(29)25-10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,29)(H,26,31)(H,32,33)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 0.0100n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.0100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 0.0100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50025184
PNG
(CHEMBL3337892)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C(N)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H22N4O5S/c1-32-18-4-2-3-15(9-18)10-26-23(31)21-27-22(30)19-17(13-34-24(19)28-21)12-33-11-14-5-7-16(8-6-14)20(25)29/h2-9,13H,10-12H2,1H3,(H2,25,29)(H,26,31)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025183
PNG
(CHEMBL3337891)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C#N)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O4S/c1-31-19-4-2-3-17(9-19)11-26-23(30)21-27-22(29)20-18(14-33-24(20)28-21)13-32-12-16-7-5-15(10-25)6-8-16/h2-9,14H,11-13H2,1H3,(H,26,30)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025189
PNG
(CHEMBL3337898)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-17-9-5-6-14(10-17)11-24-22(30)19-26-21(29)18-16(13-32-23(18)27-19)12-25-20(28)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025194
PNG
(CHEMBL3337903)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-25-22(31)20-27-21(30)19-17(12-35-23(19)28-20)26-18(29)10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0210n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233896
PNG
(CHEMBL4087855)
Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0240n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447747
PNG
(CHEMBL3113272)
Show SMILES Fc1ccc(F)c(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-15(21)14(12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0250n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025191
PNG
(CHEMBL3337900)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-16-9-5-8-15(10-16)12-25-22(30)19-26-21(29)18-17(13-32-23(18)27-19)20(28)24-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,24,28)(H,25,30)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0260n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233883
PNG
(CHEMBL4094620)
Show SMILES COc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0260n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233894
PNG
(CHEMBL4079123)
Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0270n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025187
PNG
(CHEMBL3337896)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-17-9-5-6-14(10-17)12-24-22(30)20-26-21(29)19-15(13-32-23(19)27-20)11-18(28)25-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a 0.0290n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025185
PNG
(CHEMBL3337893)
Show SMILES CNC(=O)c1ccc(COCc2csc3nc([nH]c(=O)c23)C(=O)NCc2cccc(OC)c2)cc1
Show InChI InChI=1S/C25H24N4O5S/c1-26-22(30)17-8-6-15(7-9-17)12-34-13-18-14-35-25-20(18)23(31)28-21(29-25)24(32)27-11-16-4-3-5-19(10-16)33-2/h3-10,14H,11-13H2,1-2H3,(H,26,30)(H,27,32)(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50102751
PNG
(CHEMBL3359090)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(N)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H23FN4O4/c1-33-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(26)22(21(20)24(31)30-23)34-12-11-15-5-7-17(27)8-6-15/h2-10,13H,11-12,14,27H2,1H3,(H,28,32)(H,29,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025181
PNG
(CHEMBL3337889)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(CO)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H23N3O5S/c1-31-19-4-2-3-17(9-19)10-25-23(30)21-26-22(29)20-18(14-33-24(20)27-21)13-32-12-16-7-5-15(11-28)6-8-16/h2-9,14,28H,10-13H2,1H3,(H,25,30)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233888
PNG
(CHEMBL4092215)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0330n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233878
PNG
(CHEMBL4059519)
Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0340n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233877
PNG
(CHEMBL4068176)
Show SMILES Fc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0360n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50102753
PNG
(CHEMBL3359088)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H22FN3O4/c1-32-18-9-5-8-17(14-18)15-27-25(31)23-28-20-11-10-19(26)22(21(20)24(30)29-23)33-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,27,31)(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233895
PNG
(CHEMBL4103367)
Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccsc3)c2c(=O)[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0430n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50204002
PNG
(CHEMBL3889936)
Show SMILES CC(C)C(CS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)N(O)C=O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0510n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50203961
PNG
(CHEMBL3958969)
Show SMILES ONC(=O)C1CCCCN1S(=O)(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0520n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025193
PNG
(CHEMBL3337902)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-16-9-5-8-15(10-16)12-24-22(30)20-26-21(29)19-17(13-32-23(19)27-20)25-18(28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0530n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233880
PNG
(CHEMBL4090287)
Show SMILES Clc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0540n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233901
PNG
(CHEMBL4069240)
Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0570n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233886
PNG
(CHEMBL4078492)
Show SMILES Clc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0590n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233884
PNG
(CHEMBL4086342)
Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0620n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233892
PNG
(CHEMBL4068241)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0640n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50203955
PNG
(CHEMBL3978380)
Show SMILES O=C(NCc1cccc(c1)-c1ccc(CS(=O)(=O)Cc2n[nH]c(=O)[nH]2)cc1)c1nc2ccccc2c(=O)[nH]1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0710n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447748
PNG
(CHEMBL3113271)
Show SMILES Fc1cccc(c1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-4-1-3-13(17(14)21)15-6-8-22-18(24-15)27-9-11-28(12-10-27)19(29)25-16-5-2-7-23-26-16/h1-8H,9-12H2,(H,25,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0720n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233897
PNG
(CHEMBL4064516)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCSc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0740n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50203958
PNG
(CHEMBL3965628)
Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0780n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50203958
PNG
(CHEMBL3965628)
Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0780n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50025182
PNG
(CHEMBL3337890)
Show SMILES COCc1ccc(COCc2csc3nc([nH]c(=O)c23)C(=O)NCc2cccc(OC)c2)cc1
Show InChI InChI=1S/C25H25N3O5S/c1-31-12-16-6-8-17(9-7-16)13-33-14-19-15-34-25-21(19)23(29)27-22(28-25)24(30)26-11-18-4-3-5-20(10-18)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,30)(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447745
PNG
(CHEMBL3113274)
Show SMILES Fc1cc(F)cc(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-10-13(11-15(21)12-14)16-3-5-22-18(24-16)27-6-8-28(9-7-27)19(29)25-17-2-1-4-23-26-17/h1-5,10-12H,6-9H2,(H,25,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233903
PNG
(CHEMBL4084468)
Show SMILES CC(C)c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.0910n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50233879
PNG
(CHEMBL4095557)
Show SMILES Fc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.0930n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)


BindingDB Entry DOI: 10.7270/Q2W95CF2
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 0.0970n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 578 total )  |  Next  |  Last  >>
Jump to: