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BDBM50297229 (S)-2-(4'-(4-amino-3-methylbenzofuran-2-carboxamido)biphenyl-4-ylsulfonamido)-3-methylbutanoic acid::CHEMBL564998

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N)c3c2C)cc1)C(O)=O

InChI Key: InChIKey=RVXGDNRYPJLPKA-DEOSSOPVSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50297229   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50297229
PNG
((S)-2-(4'-(4-amino-3-methylbenzofuran-2-carboxamid...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N)c3c2C)cc1)C(O)=O
Show InChI InChI=1S/C27H27N3O6S/c1-15(2)24(27(32)33)30-37(34,35)20-13-9-18(10-14-20)17-7-11-19(12-8-17)29-26(31)25-16(3)23-21(28)5-4-6-22(23)36-25/h4-15,24,30H,28H2,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 323n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50297229
PNG
((S)-2-(4'-(4-amino-3-methylbenzofuran-2-carboxamid...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2oc3cccc(N)c3c2C)cc1)C(O)=O
Show InChI InChI=1S/C27H27N3O6S/c1-15(2)24(27(32)33)30-37(34,35)20-13-9-18(10-14-20)17-7-11-19(12-8-17)29-26(31)25-16(3)23-21(28)5-4-6-22(23)36-25/h4-15,24,30H,28H2,1-3H3,(H,29,31)(H,32,33)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 19: 4546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.008
BindingDB Entry DOI: 10.7270/Q2MW2H6T
More data for this
Ligand-Target Pair