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BDBM50104970 CHEMBL114357::N*4*-Hydroxy-N*1*-(2-hydroxy-indan-1-yl)-2-(3-methoxy-benzyl)-succinamide

SMILES: COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1

InChI Key: InChIKey=ZFCJDZRVAOLEGY-ZTNFWEORSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50104970   
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-8 (MMP-8)


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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Article
PubMed
1.19E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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PubMed
6.60E+3n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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PubMed
1.55E+4n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50104970
PNG
(CHEMBL114357 | N*4*-Hydroxy-N*1*-(2-hydroxy-indan-...)
Show SMILES COc1cccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1
Show InChI InChI=1S/C21H24N2O5/c1-28-16-7-4-5-13(10-16)9-15(12-19(25)23-27)21(26)22-20-17-8-3-2-6-14(17)11-18(20)24/h2-8,10,15,18,20,24,27H,9,11-12H2,1H3,(H,22,26)(H,23,25)/t15-,18-,20+/m1/s1
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Article
PubMed
9.55E+4n/an/an/an/an/an/an/an/a



The DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 44: 3347-50 (2001)


Article DOI: 10.1021/jm015533c
BindingDB Entry DOI: 10.7270/Q2057F7H
More data for this
Ligand-Target Pair