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

Found 667 hits with Last Name = 'yang' and Initial = 'sm'   
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


(Homo sapiens (Human))
BDBM50160855
PNG
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)
Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50160855
PNG
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)
Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50160855
PNG
(1-[4-(4-chloro-phenoxy)-phenyl]-1,7,9-triaza-spiro...)
Show SMILES Clc1ccc(Oc2ccc(cc2)N2C(=O)CCC22C(=O)NC(=O)NC2=O)cc1
Show InChI InChI=1S/C19H14ClN3O5/c20-11-1-5-13(6-2-11)28-14-7-3-12(4-8-14)23-15(24)9-10-19(23)16(25)21-18(27)22-17(19)26/h1-8H,9-10H2,(H2,21,22,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11551
PNG
((3R)-N-hydroxy-2-[(4-methoxy-1,1-biphenyl-4-yl)met...)
Show SMILES COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C19H22N2O5S/c1-26-17-10-8-16(9-11-17)15-6-4-14(5-7-15)13-21-18(19(22)20-23)3-2-12-27(21,24)25/h4-11,18,23H,2-3,12-13H2,1H3,(H,20,22)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356961
PNG
(CHEMBL1916212)
Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 |r,c:10|
Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230525
PNG
((S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsul...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@@H](CN(c1ccc(Oc2ccc(Cl)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C22H28ClN3O6S/c1-15-12-25(13-16(2)31-15)21(22(27)24-28)14-26(33(3,29)30)18-6-10-20(11-7-18)32-19-8-4-17(23)5-9-19/h4-11,15-16,21,28H,12-14H2,1-3H3,(H,24,27)/t15-,16+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356961
PNG
(CHEMBL1916212)
Show SMILES CN1CCN(CCN([C@@H]2CC=CCN(O)C2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 |r,c:10|
Show InChI InChI=1S/C25H31ClN4O5S/c1-27-14-16-28(17-15-27)18-19-30(24-4-2-3-13-29(32)25(24)31)36(33,34)23-11-9-22(10-12-23)35-21-7-5-20(26)6-8-21/h2-3,5-12,24,32H,4,13-19H2,1H3/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.490n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50448653
PNG
(CHEMBL3127535)
Show SMILES OCc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN5O/c24-18-3-1-16-7-12-29(22(16)13-18)20-8-10-28(11-9-20)23-6-5-21(26-27-23)17-2-4-19(15-30)25-14-17/h1-6,13-14,20,30H,7-12,15H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis


Bioorg Med Chem Lett 24: 1437-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.075
BindingDB Entry DOI: 10.7270/Q26M38BM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230497
PNG
((S)-N-hydroxy-2-(phenylamino)-3-(N-(4-(p-tolyloxy)...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2ccccc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H25N3O5S/c1-17-8-12-20(13-9-17)31-21-14-10-19(11-15-21)26(32(2,29)30)16-22(23(27)25-28)24-18-6-4-3-5-7-18/h3-15,22,24,28H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230526
PNG
((S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(p-tolylo...)
Show SMILES CC(C)N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H27N3O5S/c1-14(2)21-19(20(24)22-25)13-23(29(4,26)27)16-7-11-18(12-8-16)28-17-9-5-15(3)6-10-17/h5-12,14,19,21,25H,13H2,1-4H3,(H,22,24)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356946
PNG
(CHEMBL1916054)
Show SMILES ON1CC(CN2CCOCC2)=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:11|
Show InChI InChI=1S/C23H26ClN3O6S/c24-18-2-4-19(5-3-18)33-20-6-8-21(9-7-20)34(30,31)25-22-10-1-17(16-27(29)23(22)28)15-26-11-13-32-14-12-26/h1-9,22,25,29H,10-16H2/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230508
PNG
((S)-N-hydroxy-2-((S)-1-phenylethylamino)-3-(N-(4-(...)
Show SMILES C[C@H](N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C25H29N3O5S/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)28(34(3,31)32)17-24(25(29)27-30)26-19(2)20-7-5-4-6-8-20/h4-16,19,24,26,30H,17H2,1-3H3,(H,27,29)/t19-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.540n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356960
PNG
(CHEMBL1916211)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C25H30ClN3O5S/c26-20-7-9-21(10-8-20)34-22-11-13-23(14-12-22)35(32,33)29(19-18-27-15-3-1-4-16-27)24-6-2-5-17-28(31)25(24)30/h2,5,7-14,24,31H,1,3-4,6,15-19H2/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356942
PNG
(CHEMBL1916050)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H17ClN2O5S/c19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22/h1-2,4-11,17,20,23H,3,12H2/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230496
PNG
((S)-N-hydroxy-2-(3-methoxyphenylamino)-3-(N-(4-(p-...)
Show SMILES COc1cccc(N[C@@H](CN(c2ccc(Oc3ccc(C)cc3)cc2)S(C)(=O)=O)C(=O)NO)c1
Show InChI InChI=1S/C24H27N3O6S/c1-17-7-11-20(12-8-17)33-21-13-9-19(10-14-21)27(34(3,30)31)16-23(24(28)26-29)25-18-5-4-6-22(15-18)32-2/h4-15,23,25,29H,16H2,1-3H3,(H,26,28)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230512
PNG
((S)-2-(cis-2,6-dimethylmorpholino)-N-hydroxy-3-(N-...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H31N3O6S/c1-16-5-9-20(10-6-16)32-21-11-7-19(8-12-21)26(33(4,29)30)15-22(23(27)24-28)25-13-17(2)31-18(3)14-25/h5-12,17-18,22,28H,13-15H2,1-4H3,(H,24,27)/t17-,18+,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356959
PNG
(CHEMBL1916210)
Show SMILES ON1CC=CC[C@@H](N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C24H28ClN3O6S/c25-19-4-6-20(7-5-19)34-21-8-10-22(11-9-21)35(31,32)28(14-13-26-15-17-33-18-16-26)23-3-1-2-12-27(30)24(23)29/h1-2,4-11,23,30H,3,12-18H2/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain (amino acids 103 to 268) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preinc...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356964
PNG
(CHEMBL1916215)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CC=CCN(O)C1=O |r,c:31|
Show InChI InChI=1S/C25H29N3O5S2/c1-20-5-7-21(8-6-20)9-10-22-11-12-24(34-22)35(31,32)28(15-14-26-16-18-33-19-17-26)23-4-2-3-13-27(30)25(23)29/h2-3,5-8,11-12,23,30H,4,13-19H2,1H3/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230507
PNG
((S)-2-(3-fluorophenylamino)-N-hydroxy-3-(N-(4-(p-t...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2cccc(F)c2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H24FN3O5S/c1-16-6-10-20(11-7-16)32-21-12-8-19(9-13-21)27(33(2,30)31)15-22(23(28)26-29)25-18-5-3-4-17(24)14-18/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 0.890n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356949
PNG
(CHEMBL1916057)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356950
PNG
(CHEMBL1916201)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N[C@@H]2CC=CCN(O)C2=O)cc1 |r,c:20|
Show InChI InChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230518
PNG
((S)-2-(cis-2,6-dimethylmorpholino)-N-hydroxy-3-(N-...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@@H](CN(c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C23H28F3N3O6S/c1-15-12-28(13-16(2)34-15)21(22(30)27-31)14-29(36(3,32)33)18-6-10-20(11-7-18)35-19-8-4-17(5-9-19)23(24,25)26/h4-11,15-16,21,31H,12-14H2,1-3H3,(H,27,30)/t15-,16+,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356945
PNG
(CHEMBL1916053)
Show SMILES CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1 |r,t:1|
Show InChI InChI=1S/C19H19ClN2O5S/c1-13-2-11-18(19(23)22(24)12-13)21-28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h2-10,18,21,24H,11-12H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230516
PNG
((S)-2-(4-fluorophenylamino)-N-hydroxy-3-(N-(4-(p-t...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](Nc2ccc(F)cc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H24FN3O5S/c1-16-3-11-20(12-4-16)32-21-13-9-19(10-14-21)27(33(2,30)31)15-22(23(28)26-29)25-18-7-5-17(24)6-8-18/h3-14,22,25,29H,15H2,1-2H3,(H,26,28)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230499
PNG
((S)-N-hydroxy-2-(isobutylamino)-3-(N-(4-(p-tolylox...)
Show SMILES CC(C)CN[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C21H29N3O5S/c1-15(2)13-22-20(21(25)23-26)14-24(30(4,27)28)17-7-11-19(12-8-17)29-18-9-5-16(3)6-10-18/h5-12,15,20,22,26H,13-14H2,1-4H3,(H,23,25)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230521
PNG
((S)-N-hydroxy-2-((R)-1-phenylethylamino)-3-(N-(4-(...)
Show SMILES C[C@@H](N[C@@H](CN(c1ccc(Oc2ccc(C)cc2)cc1)S(C)(=O)=O)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C25H29N3O5S/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)28(34(3,31)32)17-24(25(29)27-30)26-19(2)20-7-5-4-6-8-20/h4-16,19,24,26,30H,17H2,1-3H3,(H,27,29)/t19-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230515
PNG
((S)-2-(1,1-dioxo-1lambda*6*-thiomorpholin-4-yl)-N-...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCS(=O)(=O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O7S2/c1-35(30,31)27(14-19(20(28)25-29)26-10-12-36(32,33)13-11-26)16-4-8-18(9-5-16)34-17-6-2-15(3-7-17)21(22,23)24/h2-9,19,29H,10-14H2,1H3,(H,25,28)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230524
PNG
((S)-2-(cyclopentylamino)-N-hydroxy-3-(N-(4-(p-toly...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NC2CCCC2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29N3O5S/c1-16-7-11-19(12-8-16)30-20-13-9-18(10-14-20)25(31(2,28)29)15-21(22(26)24-27)23-17-5-3-4-6-17/h7-14,17,21,23,27H,3-6,15H2,1-2H3,(H,24,26)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230505
PNG
((S)-N-hydroxy-2-(pyridin-4-ylmethylamino)-3-(N-(4-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](NCc2ccncc2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H26N4O5S/c1-17-3-7-20(8-4-17)32-21-9-5-19(6-10-21)27(33(2,30)31)16-22(23(28)26-29)25-15-18-11-13-24-14-12-18/h3-14,22,25,29H,15-16H2,1-2H3,(H,26,28)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230531
PNG
((S)-N-hydroxy-2-morpholino-3-(N-(4-(p-tolyloxy)phe...)
Show SMILES Cc1ccc(Oc2ccc(cc2)N(C[C@H](N2CCOCC2)C(=O)NO)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H27N3O6S/c1-16-3-7-18(8-4-16)30-19-9-5-17(6-10-19)24(31(2,27)28)15-20(21(25)22-26)23-11-13-29-14-12-23/h3-10,20,26H,11-15H2,1-2H3,(H,22,25)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230528
PNG
((S)-N-hydroxy-2-(4-hydroxypiperidin-1-yl)-3-(N-(4-...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCC(O)CC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N3O6S/c1-35(32,33)28(14-20(21(30)26-31)27-12-10-17(29)11-13-27)16-4-8-19(9-5-16)34-18-6-2-15(3-7-18)22(23,24)25/h2-9,17,20,29,31H,10-14H2,1H3,(H,26,30)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356949
PNG
(CHEMBL1916057)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C18H18N2O5S/c21-18-17(8-4-5-13-20(18)22)19-26(23,24)16-11-9-15(10-12-16)25-14-6-2-1-3-7-14/h1-7,9-12,17,19,22H,8,13H2/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356951
PNG
(CHEMBL1916202)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C19H17F3N2O5S/c20-19(21,22)13-4-6-14(7-5-13)29-15-8-10-16(11-9-15)30(27,28)23-17-3-1-2-12-24(26)18(17)25/h1-2,4-11,17,23,26H,3,12H2/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 catalytic domain (amino acids 107 to 446) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincu...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50448654
PNG
(CHEMBL3127534)
Show SMILES Cc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C23H24FN5/c1-16-2-3-18(15-25-16)21-6-7-23(27-26-21)28-11-9-20(10-12-28)29-13-8-17-4-5-19(24)14-22(17)29/h2-7,14-15,20H,8-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis


Bioorg Med Chem Lett 24: 1437-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.075
BindingDB Entry DOI: 10.7270/Q26M38BM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356945
PNG
(CHEMBL1916053)
Show SMILES CC1=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)N(O)C1 |r,t:1|
Show InChI InChI=1S/C19H19ClN2O5S/c1-13-2-11-18(19(23)22(24)12-13)21-28(25,26)17-9-7-16(8-10-17)27-15-5-3-14(20)4-6-15/h2-10,18,21,24H,11-12H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230522
PNG
((S)-3-(N-(4-(4-chlorophenoxy)phenyl)methan-2-ylsul...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCOCC1)C(=O)NO)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClN3O6S/c1-31(27,28)24(14-19(20(25)22-26)23-10-12-29-13-11-23)16-4-8-18(9-5-16)30-17-6-2-15(21)3-7-17/h2-9,19,26H,10-14H2,1H3,(H,22,25)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356950
PNG
(CHEMBL1916201)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N[C@@H]2CC=CCN(O)C2=O)cc1 |r,c:20|
Show InChI InChI=1S/C19H20N2O6S/c1-26-14-5-7-15(8-6-14)27-16-9-11-17(12-10-16)28(24,25)20-18-4-2-3-13-21(23)19(18)22/h2-3,5-12,18,20,23H,4,13H2,1H3/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356951
PNG
(CHEMBL1916202)
Show SMILES ON1CC=CC[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)C1=O |r,c:3|
Show InChI InChI=1S/C19H17F3N2O5S/c20-19(21,22)13-4-6-14(7-5-13)29-15-8-10-16(11-9-15)30(27,28)23-17-3-1-2-12-24(26)18(17)25/h1-2,4-11,17,23,26H,3,12H2/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))
BDBM50448659
PNG
(CHEMBL3127654)
Show SMILES Cc1csc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
Show InChI InChI=1S/C21H22FN5S/c1-14-13-28-21(23-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in human A431 cells assessed as [13C]-palmitic acid conversion to [13C]-palmitoleic acid after 4 hrs by LC/MS analysis


Bioorg Med Chem Lett 24: 1437-41 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.075
BindingDB Entry DOI: 10.7270/Q26M38BM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50230523
PNG
((S)-N-hydroxy-2-(piperidin-1-yl)-3-(N-(4-(4-(trifl...)
Show SMILES CS(=O)(=O)N(C[C@H](N1CCCCC1)C(=O)NO)c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N3O5S/c1-34(31,32)28(15-20(21(29)26-30)27-13-3-2-4-14-27)17-7-11-19(12-8-17)33-18-9-5-16(6-10-18)22(23,24)25/h5-12,20,30H,2-4,13-15H2,1H3,(H,26,29)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 1140-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.129
BindingDB Entry DOI: 10.7270/Q2BP02JM
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50356964
PNG
(CHEMBL1916215)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CC=CCN(O)C1=O |r,c:31|
Show InChI InChI=1S/C25H29N3O5S2/c1-20-5-7-21(8-6-20)9-10-22-11-12-24(34-22)35(31,32)28(15-14-26-16-18-33-19-17-26)23-4-2-3-13-27(30)25(23)29/h2-3,5-8,11-12,23,30H,4,13-19H2,1H3/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of full length human MMP2 (amino acids 1 to 660) using acetyl-Cys(Eu)-Pro-Leu-Gly-Leu-Lys-(QSY7)-Ala-Arg-amide as substrate preincubated f...


Bioorg Med Chem Lett 21: 6485-90 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.068
BindingDB Entry DOI: 10.7270/Q2BP0353
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 667 total )  |  Next  |  Last  >>
Jump to: