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BDBM120215 US8691753, 64

SMILES: NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XHPUXKQBUUHEIP-ISIPKWIHNA-N

Data: 8 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 8 hits for monomerid = 120215   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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3.30n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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23n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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35n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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55n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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168n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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287n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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>1.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase 14


(Homo sapiens (Human))
BDBM120215
PNG
(US8691753, 64)
Show SMILES NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C30H31N3O7/c31-29(39)25(18-28(37)38)33-30(40)24(15-17-27(35)36)32-26(34)16-8-19-6-9-21(10-7-19)23-13-11-22(12-14-23)20-4-2-1-3-5-20/h1-7,9-14,24-25H,8,15-18H2,(H2,31,39)(H,32,34)(H,33,40)(H,35,36)(H,37,38)/t24-,25-/s2
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>5.00E+3n/an/an/an/an/an/an/an/a



Commissariat A l'Energie Atomique et Aux Energies Alternatives

US Patent


Assay Description
The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...


US Patent US8691753 (2014)


BindingDB Entry DOI: 10.7270/Q28P5Z5Q
More data for this
Ligand-Target Pair