Found 3 hits for monomerid = 262620 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Metallo-beta-lactamase type 2
(Serratia marcescens) | BDBM262620
(4-(4′-(2-(4-guanidinocyclohexyl)ethyl)-3R...)Show SMILES NC(=N)NC1CCC(CCc2ccc(-c3ccc(cc3)C3CCN(CC3)C(N)=N)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(12.38,-1.18,;10.84,-1.18,;10.07,.15,;10.07,-2.52,;8.64,-2.52,;7.87,-3.85,;6.33,-3.85,;5.56,-2.52,;4.22,-2.52,;3.45,-1.18,;1.91,-1.18,;1.14,-2.52,;-.4,-2.52,;-1.17,-1.18,;-2.71,-1.18,;-3.48,.15,;-5.02,.15,;-5.79,-1.18,;-5.02,-2.52,;-3.48,-2.52,;-7.1,-1.18,;-7.87,.15,;-9.41,.15,;-10.18,-1.18,;-9.41,-2.52,;-7.87,-2.52,;-11.61,-1.18,;-12.38,-2.52,;-12.38,.15,;-.4,.15,;-1.17,1.48,;-2.71,1.48,;-3.19,2.95,;-1.94,3.85,;-.7,2.95,;1.14,.15,;1.91,1.48,;3.39,1.08,;2.68,2.82,;.57,2.25,;6.33,-1.18,;7.87,-1.18,)| Show InChI InChI=1S/C28H39N11O2S/c29-27(30)34-22-10-2-17(3-11-22)1-4-21-9-12-23(24(25(21)42(33,40)41)26-35-37-38-36-26)20-7-5-18(6-8-20)19-13-15-39(16-14-19)28(31)32/h5-9,12,17,19,22H,1-4,10-11,13-16H2,(H3,31,32)(H4,29,30,34)(H2,33,40,41)(H,35,36,37,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.661 | n/a | n/a | n/a | n/a | 7.0 | n/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 US9708336 (2017)
BindingDB Entry DOI: 10.7270/Q2FN186K |
More data for this
Ligand-Target Pair | |
VIM-1 metallo-beta-lactamase
(Klebsiella pneumoniae) | BDBM262620
(4-(4′-(2-(4-guanidinocyclohexyl)ethyl)-3R...)Show SMILES NC(=N)NC1CCC(CCc2ccc(-c3ccc(cc3)C3CCN(CC3)C(N)=N)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(12.38,-1.18,;10.84,-1.18,;10.07,.15,;10.07,-2.52,;8.64,-2.52,;7.87,-3.85,;6.33,-3.85,;5.56,-2.52,;4.22,-2.52,;3.45,-1.18,;1.91,-1.18,;1.14,-2.52,;-.4,-2.52,;-1.17,-1.18,;-2.71,-1.18,;-3.48,.15,;-5.02,.15,;-5.79,-1.18,;-5.02,-2.52,;-3.48,-2.52,;-7.1,-1.18,;-7.87,.15,;-9.41,.15,;-10.18,-1.18,;-9.41,-2.52,;-7.87,-2.52,;-11.61,-1.18,;-12.38,-2.52,;-12.38,.15,;-.4,.15,;-1.17,1.48,;-2.71,1.48,;-3.19,2.95,;-1.94,3.85,;-.7,2.95,;1.14,.15,;1.91,1.48,;3.39,1.08,;2.68,2.82,;.57,2.25,;6.33,-1.18,;7.87,-1.18,)| Show InChI InChI=1S/C28H39N11O2S/c29-27(30)34-22-10-2-17(3-11-22)1-4-21-9-12-23(24(25(21)42(33,40)41)26-35-37-38-36-26)20-7-5-18(6-8-20)19-13-15-39(16-14-19)28(31)32/h5-9,12,17,19,22H,1-4,10-11,13-16H2,(H3,31,32)(H4,29,30,34)(H2,33,40,41)(H,35,36,37,38) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 13.4 | n/a | n/a | n/a | n/a | 7.0 | n/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 US9708336 (2017)
BindingDB Entry DOI: 10.7270/Q2FN186K |
More data for this
Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM262620
(4-(4′-(2-(4-guanidinocyclohexyl)ethyl)-3R...)Show SMILES NC(=N)NC1CCC(CCc2ccc(-c3ccc(cc3)C3CCN(CC3)C(N)=N)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 |(12.38,-1.18,;10.84,-1.18,;10.07,.15,;10.07,-2.52,;8.64,-2.52,;7.87,-3.85,;6.33,-3.85,;5.56,-2.52,;4.22,-2.52,;3.45,-1.18,;1.91,-1.18,;1.14,-2.52,;-.4,-2.52,;-1.17,-1.18,;-2.71,-1.18,;-3.48,.15,;-5.02,.15,;-5.79,-1.18,;-5.02,-2.52,;-3.48,-2.52,;-7.1,-1.18,;-7.87,.15,;-9.41,.15,;-10.18,-1.18,;-9.41,-2.52,;-7.87,-2.52,;-11.61,-1.18,;-12.38,-2.52,;-12.38,.15,;-.4,.15,;-1.17,1.48,;-2.71,1.48,;-3.19,2.95,;-1.94,3.85,;-.7,2.95,;1.14,.15,;1.91,1.48,;3.39,1.08,;2.68,2.82,;.57,2.25,;6.33,-1.18,;7.87,-1.18,)| Show InChI InChI=1S/C28H39N11O2S/c29-27(30)34-22-10-2-17(3-11-22)1-4-21-9-12-23(24(25(21)42(33,40)41)26-35-37-38-36-26)20-7-5-18(6-8-20)19-13-15-39(16-14-19)28(31)32/h5-9,12,17,19,22H,1-4,10-11,13-16H2,(H3,31,32)(H4,29,30,34)(H2,33,40,41)(H,35,36,37,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.505 | n/a | n/a | n/a | n/a | 7.0 | n/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 US9708336 (2017)
BindingDB Entry DOI: 10.7270/Q2FN186K |
More data for this
Ligand-Target Pair | |
Search and Browse
