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BDBM50127480 2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6*-benzo[f][1,2,5]thiadiazepin-2-yl)-N-hydroxy-propionamide::CHEMBL298635

SMILES: C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO

InChI Key: InChIKey=BNTJDVFEUJBXMT-GFCCVEGCSA-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 = 50127480   
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))
BDBM50127480
PNG
(2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6...)
Show SMILES C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O4S/c1-12(17(21)19-22)20-10-9-18-15-11-14(13-5-3-2-4-6-13)7-8-16(15)25(20,23)24/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/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))
BDBM50127480
PNG
(2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6...)
Show SMILES C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O4S/c1-12(17(21)19-22)20-10-9-18-15-11-14(13-5-3-2-4-6-13)7-8-16(15)25(20,23)24/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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8n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50127480
PNG
(2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6...)
Show SMILES C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O4S/c1-12(17(21)19-22)20-10-9-18-15-11-14(13-5-3-2-4-6-13)7-8-16(15)25(20,23)24/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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272n/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
ADAM17


(Homo sapiens (Human))
BDBM50127480
PNG
(2-(1,1-Dioxo-7-phenyl-1,3,4,5-tetrahydro-1lambda*6...)
Show SMILES C[C@@H](N1CCNc2cc(ccc2S1(=O)=O)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19N3O4S/c1-12(17(21)19-22)20-10-9-18-15-11-14(13-5-3-2-4-6-13)7-8-16(15)25(20,23)24/h2-8,11-12,18,22H,9-10H2,1H3,(H,19,21)/t12-/m1/s1
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>1.00E+3n/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