BindingDB logo
myBDB logout

BDBM50441213 CHEMBL2431027

SMILES: ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1

InChI Key: InChIKey=HJLAUHYNMNIAAR-XMMPIXPASA-N

Data: 26 IC50

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 26 hits for monomerid = 50441213   
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))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.70E+5n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay 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 assay


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.44E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay 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 assay


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay 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 assay


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay 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 assay


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay 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 assay


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay 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 assay


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 349n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2780 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.64E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of EGF-induced sALCAM release incubated for 30 min...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.63E+3n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of EGF-induced sALCAM release incubated for 30 mins prior to EGF induction measured...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 274n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release incubated for 30 mins prior to pervanadate in...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 1 hr measured every 15 secs for...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 4 hrs measured ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 500n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair