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16 similar compounds to monomer 32023

Compile data set for download or QSAR
Wt: 460.4
BDBM37536
Purchase
Wt: 464.8
BDBM37533
Wt: 478.8
BDBM37535
Wt: 527.5
BDBM43201
Wt: 444.4
BDBM53381
Wt: 460.4
BDBM53382
Wt: 444.4
BDBM52947
Wt: 444.4
BDBM54850
Wt: 460.4
BDBM92397
Wt: 527.5
BDBM92398
Wt: 460.4
BDBM115143
Wt: 444.4
BDBM50037064
Wt: 459.4
BDBM50204003
Wt: 459.4
BDBM50204004
Wt: 478.8
BDBM50266539
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 37536,37533,37535,43201,53381,53382,52947,54850,92397,92398,115143,50037064,50204003,50204004,50266539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50266539
PNG
((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB0413 from human platelet P2Y12 receptor


J Med Chem 52: 3784-93 (2009)


Article DOI: 10.1021/jm9003297
BindingDB Entry DOI: 10.7270/Q2NK3FZF
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50266539
PNG
((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses


Bioorg Med Chem 16: 739-45 (2008)


Article DOI: 10.1016/j.bmc.2007.10.021
BindingDB Entry DOI: 10.7270/Q24F1RKF
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM50266539
PNG
((4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,11?,13?,15-,21-,22-/m0/s1
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5.40E+5n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 measured by slope plot of Lineweaver-Burke analyses


Bioorg Med Chem 16: 739-45 (2008)


Article DOI: 10.1016/j.bmc.2007.10.021
BindingDB Entry DOI: 10.7270/Q24F1RKF
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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6.30E+5n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 measured by intercept plot of Lineweaver-Burke analyses


Bioorg Med Chem 16: 739-45 (2008)


Article DOI: 10.1016/j.bmc.2007.10.021
BindingDB Entry DOI: 10.7270/Q24F1RKF
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 1.43E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GBT
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 2.37E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2B27SQ0
More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2513WMG
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 4.35E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/a 1.24E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 7.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 7.31E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM37533
PNG
((2E,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene...)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,10,13-15,25-26,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,10?,13?,14-,15-,21-/m0/s1
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n/an/a 61.4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2P26WJQ
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 7.06E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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n/an/an/an/a 3.79E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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n/an/an/an/a 6.58E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53381
PNG
((2Z,4S,5S,6R,12aS)-2-[amino(hydroxy)methylene]-4-(...)
Show SMILES C[C@@H]1C2C(O)C3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10?,12?,13?,14?,15-,17?,22-/m0/s1
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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM53382
PNG
((2E,4S,5S,6S,12aS)-2-[amino(hydroxy)methylene]-4-(...)
Show SMILES CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12?,13?,14-,17?,21+,22-/m0/s1
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n/an/an/an/a 5.41E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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n/an/an/an/a 2.99E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53381
PNG
((2Z,4S,5S,6R,12aS)-2-[amino(hydroxy)methylene]-4-(...)
Show SMILES C[C@@H]1C2C(O)C3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10?,12?,13?,14?,15-,17?,22-/m0/s1
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n/an/an/an/a 4.53E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM53382
PNG
((2E,4S,5S,6S,12aS)-2-[amino(hydroxy)methylene]-4-(...)
Show SMILES CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12?,13?,14-,17?,21+,22-/m0/s1
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n/an/an/an/a 2.05E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM43201
PNG
((2Z,4S,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetr...)
Show SMILES CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14?,15?,18?,19?,20-,26+,27-/m0/s1
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n/an/an/an/a 1.18E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54850
PNG
(4-(dimethylamino)-6,10,12a-trihydroxy-1,3,11,12-te...)
Show SMILES CN(C)C1C2CC3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)
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n/an/an/an/a 419n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM37535
PNG
(CHLORTETRACYCLINE HYDROCHLORIDE | MLS000069428 | S...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8-,11?,13?,15-,21-,22-/m0/s1
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n/an/a 6.14E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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n/an/a 1.04E+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 (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM37535
PNG
(CHLORTETRACYCLINE HYDROCHLORIDE | MLS000069428 | S...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,11,13,15,26,32-33H,6H2,1-3H3,(H2,24,31)/t7?,8-,11?,13?,15-,21-,22-/m0/s1
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n/an/a 5.75E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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n/an/a 4.29E+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 (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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n/an/a 4.70E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


J Biol Chem 286: 2121-31 (2011)


Article DOI: 10.1074/jbc.M110.178376
BindingDB Entry DOI: 10.7270/Q2542M6F
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM92397
PNG
(4-epi-oxytetracycline)
Show SMILES CN(C)[C@@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12?,13?,14-,17?,21-,22+/m1/s1
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n/an/a 4.90E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


J Biol Chem 286: 2121-31 (2011)


Article DOI: 10.1074/jbc.M110.178376
BindingDB Entry DOI: 10.7270/Q2542M6F
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM92398
PNG
(Rolitetracycline)
Show SMILES CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
Show InChI InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,18-20,31,37-38H,4-5,9-12H2,1-3H3,(H,28,36)/t14-,15-,18?,19?,20-,26+,27-/m0/s1
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n/an/a 1.36E+5n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


J Biol Chem 286: 2121-31 (2011)


Article DOI: 10.1074/jbc.M110.178376
BindingDB Entry DOI: 10.7270/Q2542M6F
More data for this
Ligand-Target Pair
Beta-2-microglobulin


(Homo sapiens (Human))
BDBM37536
PNG
((2E,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12-,13-,14+,17+,21-,22+/m1/s1
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n/an/a 6.30E+4n/an/an/an/a7.437



University of Pavia



Assay Description
Inhibition of wild type beta-m fibrillogenesis tetracycline congeners and was follow by thioflavin fluorescence assay.


J Biol Chem 286: 2121-31 (2011)


Article DOI: 10.1074/jbc.M110.178376
BindingDB Entry DOI: 10.7270/Q2542M6F
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM115143
PNG
(4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12...)
Show SMILES CN(C)C1C2C(O)C3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)
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n/an/a 4.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM53382
PNG
((2E,4S,5S,6S,12aS)-2-[amino(hydroxy)methylene]-4-(...)
Show SMILES CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12?,13?,14-,17?,21+,22-/m0/s1
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n/an/a 3.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM115143
PNG
(4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12...)
Show SMILES CN(C)C1C2C(O)C3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)
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n/an/a 2.68E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM53382
PNG
((2E,4S,5S,6S,12aS)-2-[amino(hydroxy)methylene]-4-(...)
Show SMILES CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,10-14,17,25,28,32-33H,1-3H3,(H2,23,31)/t10?,11?,12?,13?,14-,17?,21+,22-/m0/s1
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n/an/a 2.43E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50037064
PNG
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50037064
PNG
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/m0/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50204003
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,23-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP3


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50204003
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,23-/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50204004
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,23-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50204004
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,23-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50037064
PNG
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/m0/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP3


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50204004
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,23-/m0/s1
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n/an/a 8.10E+4n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP3


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50204003
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,23-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP8


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50204003
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@]1(O)C2CC3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-22(32)9-6-5-7-12(26)13(9)17(27)14-10(22)8-11-16(25(2,3)4)18(28)15(21(24)31)20(30)23(11,33)19(14)29/h5-7,10-11,14-16,32-33H,8H2,1-4H3,(H2-,24,26,27,31)/p+1/t10?,11?,14?,15?,16-,22+,23-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50037064
PNG
((4S,4aS,6S,12aS)-4-Dimethylamino-3,6,10,12,12a-pen...)
Show SMILES CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)/t9?,10-,13?,14?,15-,21+,22-/m0/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50204004
PNG
(1,4,4a,5,5a,6,11,12a-octahydro-2-aminocarbo-nyl-3,...)
Show SMILES C[C@@H]1C2[C@@H](O)C3[C@@H](C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12)[N+](C)(C)C
Show InChI InChI=1S/C23H26N2O8/c1-8-9-6-5-7-10(26)12(9)17(27)13-11(8)18(28)15-16(25(2,3)4)19(29)14(22(24)32)21(31)23(15,33)20(13)30/h5-8,11,13-16,18,28,33H,1-4H3,(H2-,24,26,27,32)/p+1/t8-,11?,13?,14?,15?,16-,18+,23-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Clermont Auvergne University

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


Bioorg Med Chem 15: 2368-74 (2007)


Article DOI: 10.1016/j.bmc.2007.01.026
BindingDB Entry DOI: 10.7270/Q2MK6CJ2
More data for this
Ligand-Target Pair
protein-arginine deiminase type-4


(Homo sapiens (Human))
BDBM52947
PNG
((2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methyl...)
Show SMILES C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,12-15,17,25,27,32H,1-3H3,(H2,23,31)/t7-,10+,12?,13?,14+,15-,17-,22-/m0/s1
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n/an/a 8.60E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of PAD4 by ABPP-based assay


Bioorg Med Chem 16: 739-45 (2008)


Article DOI: 10.1016/j.bmc.2007.10.021
BindingDB Entry DOI: 10.7270/Q24F1RKF
More data for this
Ligand-Target Pair
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