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BDBM50291979 CHEMBL176602::N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID::N-hydroxy-2(R)-[[(R)-methylphenylphosphinyl]-benzylamino]-4-methylpentanamide

SMILES: CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO

InChI Key: InChIKey=KGUVBHLPMGERAT-NIYFSFCBSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50291979   
Target
(Institution)
LigandTarget
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))
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 2


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 9


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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n/an/a 886n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 7


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat matrix metalloprotease 13


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-8


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-3


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease 1


J Med Chem 42: 87-94 (1999)

More data for this
Ligand-Target Pair