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BDBM361128 (R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl)- N1-(pyrrolidin-3-yl)-3- (2H-tetrazol-5- yl)benzene-1,2- disulfonamide::US10221163, Example 285::US10544130, Example 285

SMILES: Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12

InChI Key: InChIKey=XNKOFTAOJRCAMQ-PJSNMCHCSA-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 = 361128   
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)
BDBM361128
PNG
((R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Show InChI InChI=1S/C19H20N10O4S2/c1-9-2-3-12(16-15(9)23-19(20)24-16)11-4-5-13(35(32,33)27-10-6-7-22-8-10)17(34(21,30)31)14(11)18-25-28-29-26-18/h2-5,10,22,27H,6-8H2,1H3,(H2,20,23)(H2,21,30,31)/b12-11+/t10-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.318n/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)
BDBM361128
PNG
((R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Show InChI InChI=1S/C19H20N10O4S2/c1-9-2-3-12(16-15(9)23-19(20)24-16)11-4-5-13(35(32,33)27-10-6-7-22-8-10)17(34(21,30)31)14(11)18-25-28-29-26-18/h2-5,10,22,27H,6-8H2,1H3,(H2,20,23)(H2,21,30,31)/b12-11+/t10-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/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


()
BDBM361128
PNG
((R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Show InChI InChI=1S/C19H20N10O4S2/c1-9-2-3-12(16-15(9)23-19(20)24-16)11-4-5-13(35(32,33)27-10-6-7-22-8-10)17(34(21,30)31)14(11)18-25-28-29-26-18/h2-5,10,22,27H,6-8H2,1H3,(H2,20,23)(H2,21,30,31)/b12-11+/t10-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0920n/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)
BDBM361128
PNG
((R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Show InChI InChI=1S/C19H20N10O4S2/c1-9-2-3-12(16-15(9)23-19(20)24-16)11-4-5-13(35(32,33)27-10-6-7-22-8-10)17(34(21,30)31)14(11)18-25-28-29-26-18/h2-5,10,22,27H,6-8H2,1H3,(H2,20,23)(H2,21,30,31)/b12-11+/t10-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.318n/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)
BDBM361128
PNG
((R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Show InChI InChI=1S/C19H20N10O4S2/c1-9-2-3-12(16-15(9)23-19(20)24-16)11-4-5-13(35(32,33)27-10-6-7-22-8-10)17(34(21,30)31)14(11)18-25-28-29-26-18/h2-5,10,22,27H,6-8H2,1H3,(H2,20,23)(H2,21,30,31)/b12-11+/t10-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0300n/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)
BDBM361128
PNG
((R)-4-(2-amino-7- methyl-1H- benzo[d]imidazol-4-yl...)
Show SMILES Cc1ccc(-c2ccc(c(c2-c2nn[nH]n2)S(N)(=O)=O)S(=O)(=O)N[C@@H]2CCNC2)c2nc(N)[nH]c12 |r|
Show InChI InChI=1S/C19H20N10O4S2/c1-9-2-3-12(16-15(9)23-19(20)24-16)11-4-5-13(35(32,33)27-10-6-7-22-8-10)17(34(21,30)31)14(11)18-25-28-29-26-18/h2-5,10,22,27H,6-8H2,1H3,(H2,20,23)(H2,21,30,31)/b12-11+/t10-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0920n/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