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BDBM361144 (R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- hydroxypropyl)-3-(2H- tetrazol-5-yl)-benzene-1,2- disulfonamide::US10221163, Example 301::US10544130, Example 301

SMILES: NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O

InChI Key: InChIKey=OEBNAEHNFGQODH-HNLKAFMCSA-N

Data: 6 IC50

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 6 hits for monomerid = 361144   
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
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM361144
PNG
((R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- ...)
Show SMILES NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H17N9O5S2/c18-6-9(27)7-22-33(30,31)13-5-4-10(11-2-1-3-12-15(11)21-8-20-12)14(16(13)32(19,28)29)17-23-25-26-24-17/h1-5,8-9,22,27H,6-7,18H2,(H2,19,28,29)/b11-10+/t9-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.129n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10221163 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM361144
PNG
((R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- ...)
Show SMILES NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H17N9O5S2/c18-6-9(27)7-22-33(30,31)13-5-4-10(11-2-1-3-12-15(11)21-8-20-12)14(16(13)32(19,28)29)17-23-25-26-24-17/h1-5,8-9,22,27H,6-7,18H2,(H2,19,28,29)/b11-10+/t9-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0160n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10221163 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair
Beta-lactamase


()
BDBM361144
PNG
((R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- ...)
Show SMILES NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H17N9O5S2/c18-6-9(27)7-22-33(30,31)13-5-4-10(11-2-1-3-12-15(11)21-8-20-12)14(16(13)32(19,28)29)17-23-25-26-24-17/h1-5,8-9,22,27H,6-7,18H2,(H2,19,28,29)/b11-10+/t9-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0530n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10544130 (2020)


BindingDB Entry DOI: 10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM361144
PNG
((R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- ...)
Show SMILES NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H17N9O5S2/c18-6-9(27)7-22-33(30,31)13-5-4-10(11-2-1-3-12-15(11)21-8-20-12)14(16(13)32(19,28)29)17-23-25-26-24-17/h1-5,8-9,22,27H,6-7,18H2,(H2,19,28,29)/b11-10+/t9-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.129n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10544130 (2020)


BindingDB Entry DOI: 10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Beta-lactamase NDM-1


(Klebsiella pneumoniae)
BDBM361144
PNG
((R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- ...)
Show SMILES NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H17N9O5S2/c18-6-9(27)7-22-33(30,31)13-5-4-10(11-2-1-3-12-15(11)21-8-20-12)14(16(13)32(19,28)29)17-23-25-26-24-17/h1-5,8-9,22,27H,6-7,18H2,(H2,19,28,29)/b11-10+/t9-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0160n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10544130 (2020)


BindingDB Entry DOI: 10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Beta-lactamase VIM-1


(Klebsiella pneumoniae)
BDBM361144
PNG
((R)-4-(1H- benzo[d]imidazol-4-yl)- N1-(3-amino-2- ...)
Show SMILES NC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cccc3[nH]cnc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C17H17N9O5S2/c18-6-9(27)7-22-33(30,31)13-5-4-10(11-2-1-3-12-15(11)21-8-20-12)14(16(13)32(19,28)29)17-23-25-26-24-17/h1-5,8-9,22,27H,6-7,18H2,(H2,19,28,29)/b11-10+/t9-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0530n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10221163 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair