BDBM50151246 CHEMBL3770935

SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N

InChI Key InChIKey=UGVOWFLXYXPRQV-OAHLLOKOSA-N

Data  17 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50151246   

TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 3.46E+5nMAssay Description:Inhibition of human MMP-1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assayMore data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 5.40E+3nMAssay Description:Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assayMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assayMore data for this Ligand-Target Pair
TargetMatrix metalloproteinase-14(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant human MMP-14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assayMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assayMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assayMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetDisintegrin and metalloproteinase domain-containing protein 10(Homo sapiens (Human))
San Raffaele Scientific Institute

Curated by ChEMBL
LigandPNGBDBM50151246(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISAMore data for this Ligand-Target Pair