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BDBM50127450 CHEMBL51966::N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl)-propionamide

SMILES: C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO

InChI Key: InChIKey=YNTPPOZAYYWSFD-SSDOTTSWSA-N

Data: 4 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 4 hits for monomerid = 50127450   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50127450
PNG
(CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...)
Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
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<2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50127450
PNG
(CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...)
Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
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100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50127450
PNG
(CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...)
Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
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391n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50127450
PNG
(CHEMBL51966 | N-Hydroxy-2-(7-hydroxy-1,1-dioxo-1,3...)
Show SMILES C[C@@H](N1CCNc2cc(O)ccc2S1(=O)=O)C(=O)NO
Show InChI InChI=1S/C11H15N3O5S/c1-7(11(16)13-17)14-5-4-12-9-6-8(15)2-3-10(9)20(14,18)19/h2-3,6-7,12,15,17H,4-5H2,1H3,(H,13,16)/t7-/m1/s1
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980n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair