BindingDB logo
myBDB logout

1 similar compounds to monomer 50292533

Compile data set for download or QSAR
Wt: 544.5
BDBM76247

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 76247   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.83E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.97E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.36E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.56E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay


Bioorg Med Chem 20: 4164-71 (2012)


Article DOI: 10.1016/j.bmc.2012.04.063
BindingDB Entry DOI: 10.7270/Q22808NT
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76247
PNG
(MLS002472883 | SMR001396994 | [(2R,3S)-2,8-bis(4-h...)
Show SMILES O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C30H24O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,26,28-29,31-37H,11H2/t22-,26?,28+,29?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair