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SMILES: Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=PNRXTCCMSJTZGK-DEOSSOPVSA-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 8 hits for monomerid = 175083   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 35n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 88n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 6.83E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair