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4 similar compounds to monomer 50218777

Compile data set for download or QSAR
Wt: 320.3
BDBM50218766
Wt: 384.4
BDBM50218767
Wt: 452.8
BDBM50218771
Wt: 420.3
BDBM50218753

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50218766,50218767,50218771,50218753   
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
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50218753
PNG
(CHEMBL101093)
Show SMILES CCCN(CCC)c1nccn2c(Nc3ccc(Cl)cc3Cl)nc(CCC)c12
Show InChI InChI=1S/C21H27Cl2N5/c1-4-7-18-19-20(27(11-5-2)12-6-3)24-10-13-28(19)21(26-18)25-17-9-8-15(22)14-16(17)23/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,25,26)
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PubMed
492n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity at corticotropin releasing hormone receptor in rat frontal cortex homogenates by [125I]Tyr-o-CRF displacement.


Bioorg Med Chem Lett 12: 291-4 (2002)


Article DOI: 10.1016/s0960-894x(01)00741-7
BindingDB Entry DOI: 10.7270/Q22N54H2
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218767
PNG
(CHEMBL67954)
Show SMILES CC(C)[C@H](N1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H20N2O7S/c1-10(2)14(16(21)22)18-15(20)12(9-26(18,23)24)17-13(19)8-25-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12?,14-/m0/s1
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n/an/a>6.50E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218771
PNG
(CHEMBL63749)
Show SMILES Clc1ccc(OC(=O)NC2CS(=O)(=O)N(CC(=O)OCc3ccccc3)C2=O)cc1
Show InChI InChI=1/C19H17ClN2O7S/c20-14-6-8-15(9-7-14)29-19(25)21-16-12-30(26,27)22(18(16)24)10-17(23)28-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,25)
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n/an/a>5.52E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Cell division protein FtsI (Peptidoglycan synthetase)


(Staphylococcus aureus)
BDBM50218766
PNG
(CHEMBL67473)
Show SMILES CC(C)[C@@H](N1C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H20N2O5/c1-10(2)14(16(21)22)18-8-12(15(18)20)17-13(19)9-23-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1
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n/an/a>7.80E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Cell division protein FtsI (Peptidoglycan synthetase)


(Staphylococcus aureus)
BDBM50218767
PNG
(CHEMBL67954)
Show SMILES CC(C)[C@H](N1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H20N2O7S/c1-10(2)14(16(21)22)18-15(20)12(9-26(18,23)24)17-13(19)8-25-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12?,14-/m0/s1
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n/an/a>6.50E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein 3


(Staphylococcus aureus)
BDBM50218767
PNG
(CHEMBL67954)
Show SMILES CC(C)[C@H](N1C(=O)C(CS1(=O)=O)NC(=O)COc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H20N2O7S/c1-10(2)14(16(21)22)18-15(20)12(9-26(18,23)24)17-13(19)8-25-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12?,14-/m0/s1
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n/an/a>6.50E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50218766
PNG
(CHEMBL67473)
Show SMILES CC(C)[C@@H](N1C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H20N2O5/c1-10(2)14(16(21)22)18-8-12(15(18)20)17-13(19)9-23-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1
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n/an/a>7.80E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Cell division protein FtsI (Peptidoglycan synthetase)


(Staphylococcus aureus)
BDBM50218771
PNG
(CHEMBL63749)
Show SMILES Clc1ccc(OC(=O)NC2CS(=O)(=O)N(CC(=O)OCc3ccccc3)C2=O)cc1
Show InChI InChI=1/C19H17ClN2O7S/c20-14-6-8-15(9-7-14)29-19(25)21-16-12-30(26,27)22(18(16)24)10-17(23)28-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,25)
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n/an/a>5.52E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein 3


(Staphylococcus aureus)
BDBM50218766
PNG
(CHEMBL67473)
Show SMILES CC(C)[C@@H](N1C[C@H](NC(=O)COc2ccccc2)C1=O)C(O)=O
Show InChI InChI=1S/C16H20N2O5/c1-10(2)14(16(21)22)18-8-12(15(18)20)17-13(19)9-23-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1
PDB

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PC sid
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PubMed
n/an/a>7.80E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair
Penicillin-binding protein 3


(Staphylococcus aureus)
BDBM50218771
PNG
(CHEMBL63749)
Show SMILES Clc1ccc(OC(=O)NC2CS(=O)(=O)N(CC(=O)OCc3ccccc3)C2=O)cc1
Show InChI InChI=1/C19H17ClN2O7S/c20-14-6-8-15(9-7-14)29-19(25)21-16-12-30(26,27)22(18(16)24)10-17(23)28-11-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,25)
PDB

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PC sid
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Article
PubMed
n/an/a>5.52E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus


Bioorg Med Chem Lett 11: 2111-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00409-7
BindingDB Entry DOI: 10.7270/Q26H4KKT
More data for this
Ligand-Target Pair