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7 similar compounds to monomer 50216004

Compile data set for download or QSAR
Wt: 447.5
BDBM50215993
Wt: 459.5
BDBM50215996
Wt: 419.4
BDBM50215997
Wt: 475.5
BDBM50216002
Wt: 588.7
BDBM50216007
Wt: 474.5
BDBM50216008
Wt: 474.5
BDBM50216009

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50215993,50215996,50215997,50216002,50216007,50216008,50216009   
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))
BDBM50216007
PNG
(CHEMBL393443 | tert-butyl 4-(4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215996
PNG
(CHEMBL392837 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O2S/c1-15-13-17(19-5-2-3-7-21(19)26-15)14-32-18-11-9-16(10-12-18)24(31)27-22-8-4-6-20(22)23-28-25(33)30-29-23/h2-3,5,7,9-13,20,22H,4,6,8,14H2,1H3,(H,27,31)(H2,28,29,30,33)/t20-,22+/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216009
PNG
(CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-10-11-26-13-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216008
PNG
(CHEMBL392231 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-13-26-11-10-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215997
PNG
(4-((2-methylquinolin-4-yl)methoxy)-N-(2-(5-thioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCCc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C22H21N5O2S/c1-14-12-16(18-4-2-3-5-19(18)24-14)13-29-17-8-6-15(7-9-17)21(28)23-11-10-20-25-22(30)27-26-20/h2-9,12H,10-11,13H2,1H3,(H,23,28)(H2,25,26,27,30)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216002
PNG
(CHEMBL247347 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-12-17(19-4-2-3-5-21(19)26-15)13-33-18-8-6-16(7-9-18)24(31)27-22-10-11-32-14-20(22)23-28-25(34)30-29-23/h2-9,12,20,22H,10-11,13-14H2,1H3,(H,27,31)(H2,28,29,30,34)/t20-,22+/m0/s1
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215993
PNG
(CHEMBL248524 | N-(2-methyl-1-(5-thioxo-4,5-dihydro...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC(C)(C)Cc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-15-12-17(19-6-4-5-7-20(19)25-15)14-31-18-10-8-16(9-11-18)22(30)27-24(2,3)13-21-26-23(32)29-28-21/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,28,29,32)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216008
PNG
(CHEMBL392231 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-13-26-11-10-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50215996
PNG
(CHEMBL392837 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O2S/c1-15-13-17(19-5-2-3-7-21(19)26-15)14-32-18-11-9-16(10-12-18)24(31)27-22-8-4-6-20(22)23-28-25(33)30-29-23/h2-3,5,7,9-13,20,22H,4,6,8,14H2,1H3,(H,27,31)(H2,28,29,30,33)/t20-,22+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50215997
PNG
(4-((2-methylquinolin-4-yl)methoxy)-N-(2-(5-thioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCCc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C22H21N5O2S/c1-14-12-16(18-4-2-3-5-19(18)24-14)13-29-17-8-6-15(7-9-17)21(28)23-11-10-20-25-22(30)27-26-20/h2-9,12H,10-11,13H2,1H3,(H,23,28)(H2,25,26,27,30)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50215993
PNG
(CHEMBL248524 | N-(2-methyl-1-(5-thioxo-4,5-dihydro...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC(C)(C)Cc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-15-12-17(19-6-4-5-7-20(19)25-15)14-31-18-10-8-16(9-11-18)22(30)27-24(2,3)13-21-26-23(32)29-28-21/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,28,29,32)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216009
PNG
(CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-10-11-26-13-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216007
PNG
(CHEMBL393443 | tert-butyl 4-(4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216002
PNG
(CHEMBL247347 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-12-17(19-4-2-3-5-21(19)26-15)13-33-18-8-6-16(7-9-18)24(31)27-22-10-11-32-14-20(22)23-28-25(34)30-29-23/h2-9,12,20,22H,10-11,13-14H2,1H3,(H,27,31)(H2,28,29,30,34)/t20-,22+/m0/s1
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215997
PNG
(4-((2-methylquinolin-4-yl)methoxy)-N-(2-(5-thioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCCc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C22H21N5O2S/c1-14-12-16(18-4-2-3-5-19(18)24-14)13-29-17-8-6-15(7-9-17)21(28)23-11-10-20-25-22(30)27-26-20/h2-9,12H,10-11,13H2,1H3,(H,23,28)(H2,25,26,27,30)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215993
PNG
(CHEMBL248524 | N-(2-methyl-1-(5-thioxo-4,5-dihydro...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC(C)(C)Cc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-15-12-17(19-6-4-5-7-20(19)25-15)14-31-18-10-8-16(9-11-18)22(30)27-24(2,3)13-21-26-23(32)29-28-21/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,28,29,32)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216008
PNG
(CHEMBL392231 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-13-26-11-10-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216007
PNG
(CHEMBL393443 | tert-butyl 4-(4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216002
PNG
(CHEMBL247347 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-12-17(19-4-2-3-5-21(19)26-15)13-33-18-8-6-16(7-9-18)24(31)27-22-10-11-32-14-20(22)23-28-25(34)30-29-23/h2-9,12,20,22H,10-11,13-14H2,1H3,(H,27,31)(H2,28,29,30,34)/t20-,22+/m0/s1
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50215996
PNG
(CHEMBL392837 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O2S/c1-15-13-17(19-5-2-3-7-21(19)26-15)14-32-18-11-9-16(10-12-18)24(31)27-22-8-4-6-20(22)23-28-25(33)30-29-23/h2-3,5,7,9-13,20,22H,4,6,8,14H2,1H3,(H,27,31)(H2,28,29,30,33)/t20-,22+/m0/s1
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50216009
PNG
(CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-10-11-26-13-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215997
PNG
(4-((2-methylquinolin-4-yl)methoxy)-N-(2-(5-thioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCCc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C22H21N5O2S/c1-14-12-16(18-4-2-3-5-19(18)24-14)13-29-17-8-6-15(7-9-17)21(28)23-11-10-20-25-22(30)27-26-20/h2-9,12H,10-11,13H2,1H3,(H,23,28)(H2,25,26,27,30)
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215993
PNG
(CHEMBL248524 | N-(2-methyl-1-(5-thioxo-4,5-dihydro...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC(C)(C)Cc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-15-12-17(19-6-4-5-7-20(19)25-15)14-31-18-10-8-16(9-11-18)22(30)27-24(2,3)13-21-26-23(32)29-28-21/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,28,29,32)
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50216008
PNG
(CHEMBL392231 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-13-26-11-10-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50216007
PNG
(CHEMBL393443 | tert-butyl 4-(4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50216002
PNG
(CHEMBL247347 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-12-17(19-4-2-3-5-21(19)26-15)13-33-18-8-6-16(7-9-18)24(31)27-22-10-11-32-14-20(22)23-28-25(34)30-29-23/h2-9,12,20,22H,10-11,13-14H2,1H3,(H,27,31)(H2,28,29,30,34)/t20-,22+/m0/s1
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215996
PNG
(CHEMBL392837 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O2S/c1-15-13-17(19-5-2-3-7-21(19)26-15)14-32-18-11-9-16(10-12-18)24(31)27-22-8-4-6-20(22)23-28-25(33)30-29-23/h2-3,5,7,9-13,20,22H,4,6,8,14H2,1H3,(H,27,31)(H2,28,29,30,33)/t20-,22+/m0/s1
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50216009
PNG
(CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-10-11-26-13-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50216008
PNG
(CHEMBL392231 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-13-26-11-10-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50215996
PNG
(CHEMBL392837 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O2S/c1-15-13-17(19-5-2-3-7-21(19)26-15)14-32-18-11-9-16(10-12-18)24(31)27-22-8-4-6-20(22)23-28-25(33)30-29-23/h2-3,5,7,9-13,20,22H,4,6,8,14H2,1H3,(H,27,31)(H2,28,29,30,33)/t20-,22+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50215993
PNG
(CHEMBL248524 | N-(2-methyl-1-(5-thioxo-4,5-dihydro...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC(C)(C)Cc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-15-12-17(19-6-4-5-7-20(19)25-15)14-31-18-10-8-16(9-11-18)22(30)27-24(2,3)13-21-26-23(32)29-28-21/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,28,29,32)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50216002
PNG
(CHEMBL247347 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-12-17(19-4-2-3-5-21(19)26-15)13-33-18-8-6-16(7-9-18)24(31)27-22-10-11-32-14-20(22)23-28-25(34)30-29-23/h2-9,12,20,22H,10-11,13-14H2,1H3,(H,27,31)(H2,28,29,30,34)/t20-,22+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50216007
PNG
(CHEMBL393443 | tert-butyl 4-(4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50215997
PNG
(4-((2-methylquinolin-4-yl)methoxy)-N-(2-(5-thioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCCc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C22H21N5O2S/c1-14-12-16(18-4-2-3-5-19(18)24-14)13-29-17-8-6-15(7-9-17)21(28)23-11-10-20-25-22(30)27-26-20/h2-9,12H,10-11,13H2,1H3,(H,23,28)(H2,25,26,27,30)
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PubMed
>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50216009
PNG
(CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-10-11-26-13-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50216007
PNG
(CHEMBL393443 | tert-butyl 4-(4-((2-methylquinolin-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC2(Cc3n[nH]c(=S)[nH]3)CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Show InChI InChI=1S/C31H36N6O4S/c1-20-17-22(24-7-5-6-8-25(24)32-20)19-40-23-11-9-21(10-12-23)27(38)34-31(18-26-33-28(42)36-35-26)13-15-37(16-14-31)29(39)41-30(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H,34,38)(H2,33,35,36,42)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50216002
PNG
(CHEMBL247347 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCOC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O3S/c1-15-12-17(19-4-2-3-5-21(19)26-15)13-33-18-8-6-16(7-9-18)24(31)27-22-10-11-32-14-20(22)23-28-25(34)30-29-23/h2-9,12,20,22H,10-11,13-14H2,1H3,(H,27,31)(H2,28,29,30,34)/t20-,22+/m0/s1
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n/an/a 8.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50215996
PNG
(CHEMBL392837 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H25N5O2S/c1-15-13-17(19-5-2-3-7-21(19)26-15)14-32-18-11-9-16(10-12-18)24(31)27-22-8-4-6-20(22)23-28-25(33)30-29-23/h2-3,5,7,9-13,20,22H,4,6,8,14H2,1H3,(H,27,31)(H2,28,29,30,33)/t20-,22+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50216008
PNG
(CHEMBL392231 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CNCC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-13-26-11-10-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50216009
PNG
(CHEMBL247348 | cis-4-((2-methylquinolin-4-yl)metho...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2CCNC[C@@H]2c2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H26N6O2S/c1-15-12-17(19-4-2-3-5-21(19)27-15)14-33-18-8-6-16(7-9-18)24(32)28-22-10-11-26-13-20(22)23-29-25(34)31-30-23/h2-9,12,20,22,26H,10-11,13-14H2,1H3,(H,28,32)(H2,29,30,31,34)/t20-,22+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50215997
PNG
(4-((2-methylquinolin-4-yl)methoxy)-N-(2-(5-thioxo-...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NCCc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C22H21N5O2S/c1-14-12-16(18-4-2-3-5-19(18)24-14)13-29-17-8-6-15(7-9-17)21(28)23-11-10-20-25-22(30)27-26-20/h2-9,12H,10-11,13H2,1H3,(H,23,28)(H2,25,26,27,30)
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50215993
PNG
(CHEMBL248524 | N-(2-methyl-1-(5-thioxo-4,5-dihydro...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC(C)(C)Cc2n[nH]c(=S)[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-15-12-17(19-6-4-5-7-20(19)25-15)14-31-18-10-8-16(9-11-18)22(30)27-24(2,3)13-21-26-23(32)29-28-21/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,28,29,32)
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n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 4678-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.100
BindingDB Entry DOI: 10.7270/Q2H41R4X
More data for this
Ligand-Target Pair