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SMILES: Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1

InChI Key: InChIKey=YXXHMCHMAVOSQR-UHFFFAOYSA-N

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 10 hits for monomerid = 50031908   
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
Tyrosine-protein phosphatase non-receptor type 18


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PTPN18 (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a 9.60E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of STEP (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 9


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a 3.75E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MEG2 (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a 1.85E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) assessed as re...

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Protein phosphatase Slingshot homolog 2


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of SSH2 (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Protein phosphatase 1A


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a 3.18E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PPM1A (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Protein phosphatase 1G


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of PPM1G (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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 9.97E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL21 (DE3) as...

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))		BDBM50031908
PNG
(CHEMBL3360906)
Show SMILES Cc1cccc(CSc2nnc(NC(=O)CSc3nc4ccc(cc4s3)N3C(=O)c4ccccc4C3=O)s2)c1
Show InChI InChI=1S/C27H19N5O3S4/c1-15-5-4-6-16(11-15)13-36-27-31-30-25(39-27)29-22(33)14-37-26-28-20-10-9-17(12-21(20)38-26)32-23(34)18-7-2-3-8-19(18)24(32)35/h2-12H,13-14H2,1H3,(H,29,30,33)
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n/an/a 5.01E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of VHR (unknown origin) assessed as reduction in pNPP hydrolysis

J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair