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Compile Data Set for Download or QSAR

Found 67 hits from Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)   
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
Collagenase


(homo sapiens (human))
BDBM50026872
PNG
(CHEMBL1233506 | SC-74020)
Show SMILES CCCCCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1
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n/an/a<0.100n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366175
PNG
(CHEMBL1957606)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366175
PNG
(CHEMBL1957606)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366203
PNG
(CHEMBL1957601)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N2CSC[C@H]2C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O6S2/c1-24-12-2-4-13(5-3-12)25-14-6-8-15(9-7-14)27(22,23)19-11-26-10-16(19)17(20)18-21/h2-9,16,21H,10-11H2,1H3,(H,18,20)/t16-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50366175
PNG
(CHEMBL1957606)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP8 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366205
PNG
(CHEMBL1957603)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50366175
PNG
(CHEMBL1957606)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP14 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured a...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366203
PNG
(CHEMBL1957601)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N2CSC[C@H]2C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O6S2/c1-24-12-2-4-13(5-3-12)25-14-6-8-15(9-7-14)27(22,23)19-11-26-10-16(19)17(20)18-21/h2-9,16,21H,10-11H2,1H3,(H,18,20)/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366205
PNG
(CHEMBL1957603)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366204
PNG
(CHEMBL1957602)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366204
PNG
(CHEMBL1957602)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50366175
PNG
(CHEMBL1957606)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O7S2/c17-11-1-3-12(4-2-11)26-13-5-7-14(8-6-13)28(24,25)19-10-27(22,23)9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP12 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured a...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP8 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP14 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured a...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50366204
PNG
(CHEMBL1957602)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366200
PNG
(CHEMBL1957598)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S2/c19-16(17-20)15-10-23-11-18(15)24(21,22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366200
PNG
(CHEMBL1957598)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O4S2/c19-16(17-20)15-10-23-11-18(15)24(21,22)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP8 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP12 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured a...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366202
PNG
(CHEMBL1957600)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C13H13N3O4S2/c17-13(15-18)10-7-21-8-16(10)22(19,20)11-5-1-3-9-4-2-6-14-12(9)11/h1-6,10,18H,7-8H2,(H,15,17)/t10-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50366205
PNG
(CHEMBL1957603)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366202
PNG
(CHEMBL1957600)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C13H13N3O4S2/c17-13(15-18)10-7-21-8-16(10)22(19,20)11-5-1-3-9-4-2-6-14-12(9)11/h1-6,10,18H,7-8H2,(H,15,17)/t10-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50366204
PNG
(CHEMBL1957602)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H15ClN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366198
PNG
(CHEMBL1957596)
Show SMILES ONC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O5S/c20-16-11-10-15(17(21)18-22)19(16)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,22H,10-11H2,(H,18,21)/t15-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366198
PNG
(CHEMBL1957596)
Show SMILES ONC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O5S/c20-16-11-10-15(17(21)18-22)19(16)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,22H,10-11H2,(H,18,21)/t15-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP12 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured a...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366176
PNG
(CHEMBL1957575)
Show SMILES ONC(=O)[C@H]1CCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c21-17-11-10-16(18(22)19-23)20(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,19,22)/t16-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP14 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured a...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50366173
PNG
(CHEMBL1957604)
Show SMILES ONC(=O)[C@@H]1CS(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O5S2/c19-16(17-20)15-10-24(21)11-18(15)25(22,23)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-,24?/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50366174
PNG
(CHEMBL1957605)
Show SMILES ONC(=O)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O6S2/c19-16(17-20)15-10-25(21,22)11-18(15)26(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H,17,19)/t15-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366199
PNG
(CHEMBL1957597)
Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-7-4-12-19(16)24(22,23)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H,18,20)/t16-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366197
PNG
(CHEMBL1957595)
Show SMILES ONC(=O)[C@@H]1CSC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c20-16(18-22)15-11-23-17(21)19(15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,18,20)/t15-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366185
PNG
(CHEMBL1957584)
Show SMILES ONC(=O)[C@@H]1CCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c21-17-11-10-16(18(22)19-23)20(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,19,22)/t16-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366176
PNG
(CHEMBL1957575)
Show SMILES ONC(=O)[C@H]1CCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c21-17-11-10-16(18(22)19-23)20(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,19,22)/t16-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366201
PNG
(CHEMBL1957599)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H14N2O4S2/c17-14(15-18)13-8-21-9-16(13)22(19,20)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,18H,8-9H2,(H,15,17)/t13-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366197
PNG
(CHEMBL1957595)
Show SMILES ONC(=O)[C@@H]1CSC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O3S/c20-16(18-22)15-11-23-17(21)19(15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,18,20)/t15-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50366205
PNG
(CHEMBL1957603)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN2O5S2/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)26(22,23)19-10-25-9-15(19)16(20)18-21/h1-8,15,21H,9-10H2,(H,18,20)/t15-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366201
PNG
(CHEMBL1957599)
Show SMILES ONC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H14N2O4S2/c17-14(15-18)13-8-21-9-16(13)22(19,20)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13,18H,8-9H2,(H,15,17)/t13-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366199
PNG
(CHEMBL1957597)
Show SMILES ONC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H18N2O4S/c20-17(18-21)16-7-4-12-19(16)24(22,23)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H,18,20)/t16-/m0/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50366185
PNG
(CHEMBL1957584)
Show SMILES ONC(=O)[C@@H]1CCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c21-17-11-10-16(18(22)19-23)20(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H,19,22)/t16-/m0/s1
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n/an/a 1.44E+5n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured af...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366177
PNG
(CHEMBL1957576)
Show SMILES OC(=O)[C@H]1CCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c20-17-11-10-16(18(21)22)19(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,22)/t16-/m1/s1
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n/an/a 2.90E+5n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366189
PNG
(CHEMBL243307)
Show SMILES OC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl
Show InChI InChI=1S/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1
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n/an/a 3.15E+5n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366195
PNG
(CHEMBL1957593)
Show SMILES ONC(=O)[C@@H]1CSCN1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H18N2O2S/c20-17(18-21)16-11-22-12-19(16)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16,21H,10-12H2,(H,18,20)/t16-/m0/s1
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n/an/a 3.30E+5n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50366186
PNG
(CHEMBL1957585)
Show SMILES OC(=O)[C@@H]1CCC(=O)N1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c20-17-11-10-16(18(21)22)19(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1
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n/an/a 3.40E+5n/an/an/an/an/an/a



Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl)

Curated by ChEMBL


Assay Description
Inhibition of full length MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate preincubated for 1 hr prior substrate addition measured after 3...


Bioorg Med Chem 20: 2323-37 (2012)


Article DOI: 10.1016/j.bmc.2012.02.010
BindingDB Entry DOI: 10.7270/Q2N29XD5
More data for this
Ligand-Target Pair
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