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BDBM50107583 (R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-yl)-succinamide::CHEMBL8496

SMILES: ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=KLPLOGXKUWGLSE-XRODADMRSA-N

Data: 3 KI

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 3 hits for monomerid = 50107583   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50107583
PNG
((R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)/t20-,23-,25+/m1/s1
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PubMed
<2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase B (MMP-9)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50107583
PNG
((R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)/t20-,23-,25+/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for human gelatinase A (MMP-2)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50107583
PNG
((R)-2-(3'-Fluoro-biphenyl-4-ylmethyl)-N*4*-hydroxy...)
Show SMILES ONC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C26H25FN2O4/c27-21-6-3-5-18(13-21)17-10-8-16(9-11-17)12-20(15-24(31)29-33)26(32)28-25-22-7-2-1-4-19(22)14-23(25)30/h1-11,13,20,23,25,30,33H,12,14-15H2,(H,28,32)(H,29,31)/t20-,23-,25+/m1/s1
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PubMed
1.82E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharma Company

Curated by ChEMBL


Assay Description
Binding affinity for neutrophil collagenase (MMP-1)


Bioorg Med Chem Lett 12: 101-4 (2001)


BindingDB Entry DOI: 10.7270/Q2R49Q1C
More data for this
Ligand-Target Pair