BindingDB logo
myBDB logout

7 similar compounds to monomer 28321

Wt: 539.0
BDBM28314
Wt: 547.6
BDBM28318
Wt: 561.6
BDBM28319
Wt: 505.5
BDBM28320
Wt: 496.5
BDBM28322
Wt: 553.0
BDBM28323
Wt: 553.0
BDBM28325

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 28314,28318,28319,28320,28322,28323,28325   
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
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28314
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxopyr...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27ClN2O5S/c29-23-12-8-20(9-13-23)21-10-14-24(15-11-21)37(35,36)31(18-17-30-16-4-7-26(30)32)28(27(33)34)19-25(28)22-5-2-1-3-6-22/h1-3,5-6,8-15,25H,4,7,16-19H2,(H,33,34)/t25-,28+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28318
PNG
((1R,2S)-1-({4-[4-(dimethylamino)phenyl]benzene}[2-...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H33N3O5S/c1-31(2)25-14-10-22(11-15-25)23-12-16-26(17-13-23)39(37,38)33(20-19-32-18-6-9-28(32)34)30(29(35)36)21-27(30)24-7-4-3-5-8-24/h3-5,7-8,10-17,27H,6,9,18-21H2,1-2H3,(H,35,36)/t27-,30+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28319
PNG
((1R,2S)-1-{[4-(4-acetamidophenyl)benzene][2-(2-oxo...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H31N3O6S/c1-21(34)31-25-13-9-22(10-14-25)23-11-15-26(16-12-23)40(38,39)33(19-18-32-17-5-8-28(32)35)30(29(36)37)20-27(30)24-6-3-2-4-7-24/h2-4,6-7,9-16,27H,5,8,17-20H2,1H3,(H,31,34)(H,36,37)/t27-,30+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28325
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2-oxopip...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClN2O5S/c30-24-13-9-21(10-14-24)22-11-15-25(16-12-22)38(36,37)32(19-18-31-17-5-4-8-27(31)33)29(28(34)35)20-26(29)23-6-2-1-3-7-23/h1-3,6-7,9-16,26H,4-5,8,17-20H2,(H,34,35)/t26-,29+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28322
PNG
((1R,2S)-1-{[4-(3-methoxyprop-1-yn-1-yl)benzene][2-...)
Show SMILES COCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H28N2O6S/c1-34-18-6-7-20-11-13-22(14-12-20)35(32,33)28(17-16-27-15-5-10-24(27)29)26(25(30)31)19-23(26)21-8-3-2-4-9-21/h2-4,8-9,11-14,23H,5,10,15-19H2,1H3,(H,30,31)/t23-,26+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28323
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene][2-(2,5-diox...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1C(=O)CCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClN2O6S/c29-22-10-6-19(7-11-22)20-8-12-23(13-9-20)38(36,37)31(17-16-30-25(32)14-15-26(30)33)28(27(34)35)18-24(28)21-4-2-1-3-5-21/h1-13,24H,14-18H2,(H,34,35)/t24-,28+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (human))
BDBM28320
PNG
((1R,2S)-1-{[2-(2-oxopyrrolidin-1-yl)ethyl][4-(pyri...)
Show SMILES OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C27H27N3O5S/c31-25-7-4-16-29(25)17-18-30(27(26(32)33)19-24(27)22-5-2-1-3-6-22)36(34,35)23-10-8-20(9-11-23)21-12-14-28-15-13-21/h1-3,5-6,8-15,24H,4,7,16-19H2,(H,32,33)/t24-,27+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.537



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)

More data for this
Ligand-Target Pair