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BDBM361076 (R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl)sulfonamido)-1,1-dimethylpyrrolidin-1-ium chloride::US10221163, Example 233::US10544130, Example 233

SMILES: C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O

InChI Key: InChIKey=YMBSYOSFIYTLEM-GXZRWPEMSA-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 = 361076   
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)
BDBM361076
PNG
((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...)
Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.305n/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)
BDBM361076
PNG
((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...)
Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0230n/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


()
BDBM361076
PNG
((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...)
Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0900n/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)
BDBM361076
PNG
((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...)
Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.305n/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)
BDBM361076
PNG
((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...)
Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0230n/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)
BDBM361076
PNG
((R)-3-((4-(2-amino-1H-benzo[d]imidazol-4-yl)-2-sul...)
Show SMILES C[N]1(C)CC[C@H](C1)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Show InChI InChI=1S/C20H23N10O4S2/c1-30(2)9-8-11(10-30)27-36(33,34)15-7-6-12(13-4-3-5-14-17(13)24-20(21)23-14)16(18(15)35(22,31)32)19-25-28-29-26-19/h3-7,11,27H,8-10H2,1-2H3,(H2,21,23)(H2,22,31,32)/b13-12+/t11-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0900n/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