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BDBM50431947 CHEMBL2348091

InChI string: InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+

SMILES: OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1

InChI Key: InChIKey=FXCKSJPZDBQRLO-KPKJPENVSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50431947   
Target
(Institution)
LigandTarget
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
ADAMTS5


(Bos taurus)
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.20E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Ex vivo inhibition of ADAMTS-5-mediated aggrecan degradation in IL-1-stimulated bovine cartilage explant


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of TACE (unknown origin)


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP14 (unknown origin) by FRET method


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin) by FRET method


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin) by FRET method


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.30E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-4 (unknown origin) by FRET method


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 230n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged ADAMTS-5 using QF-peptide as substrate by FRET method


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of TACE (unknown origin)


Eur J Med Chem 71: 250-8 (2014)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-14 using fluorescence peptide matrix as substrate after 45 mins by fluorescence plate reader analysis


Eur J Med Chem 71: 250-8 (2014)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.30E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-4 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 230n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAMTS-5 using interglobular domain peptide of aggrecan after 60 mins by FRET assay


Eur J Med Chem 71: 250-8 (2014)

More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 13


(Homo sapiens)
BDBM50431947
PNG
(CHEMBL2348091)
Show SMILES OC(=O)CCc1sc(\C=C2/NC(=O)CS2)nc1-c1ccccn1
Show InChI InChI=1S/C15H13N3O3S2/c19-11-8-22-12(17-11)7-13-18-15(9-3-1-2-6-16-9)10(23-13)4-5-14(20)21/h1-3,6-7H,4-5,8H2,(H,17,19)(H,20,21)/b12-7+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS-13 (unknown origin)


Bioorg Med Chem Lett 23: 2106-10 (2013)

More data for this
Ligand-Target Pair