Found 2 hits for monomerid = 50450031 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 |
|---|
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450031
(CHEMBL4161280)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(CCC(O)CC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,wU:14.46,9.10,wD:37.41,1.0,t:27,(61.85,-27.06,;63.21,-27.84,;61.88,-28.61,;61.88,-30.15,;63.21,-30.9,;64.54,-30.15,;64.54,-28.61,;65.87,-30.91,;67.19,-30.15,;65.86,-32.45,;64.53,-33.22,;67.19,-33.22,;68.52,-32.46,;68.52,-30.92,;69.85,-33.23,;71.17,-32.46,;73.84,-27.84,;75.19,-28.61,;73.83,-26.29,;75.18,-27.07,;76.52,-26.3,;76.53,-24.75,;77.88,-23.97,;75.18,-23.97,;73.83,-24.74,;72.51,-25.53,;72.51,-23.99,;71.27,-23.22,;71.26,-21.65,;69.91,-20.88,;68.57,-21.67,;67.22,-20.89,;65.88,-21.67,;65.88,-23.23,;67.23,-24.01,;68.57,-23.23,;69.92,-24,;64.54,-23.99,;63.21,-23.24,;64.54,-25.53,;63.21,-26.3,;61.88,-25.53,;69.85,-34.77,;71.17,-35.53,;68.51,-35.52,)| Show InChI InChI=1S/C33H43N5O6/c1-19(2)28-30(41)35-21(4)31(42)38-17-5-6-26(37-38)29(40)34-20(3)25-10-9-23-8-7-22(18-27(23)36-25)11-14-33(32(43)44-28)15-12-24(39)13-16-33/h7-11,14,18-21,24,26,28,37,39H,5-6,12-13,15-17H2,1-4H3,(H,34,40)(H,35,41)/b14-11+/t20-,21+,24?,26+,28+,33?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50450031
(CHEMBL4161280)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C1(CCC(O)CC1)\C=C\c1ccc3ccc(nc3c1)[C@@H](C)NC2=O)C(C)C |r,wU:14.46,9.10,wD:37.41,1.0,t:27,(61.85,-27.06,;63.21,-27.84,;61.88,-28.61,;61.88,-30.15,;63.21,-30.9,;64.54,-30.15,;64.54,-28.61,;65.87,-30.91,;67.19,-30.15,;65.86,-32.45,;64.53,-33.22,;67.19,-33.22,;68.52,-32.46,;68.52,-30.92,;69.85,-33.23,;71.17,-32.46,;73.84,-27.84,;75.19,-28.61,;73.83,-26.29,;75.18,-27.07,;76.52,-26.3,;76.53,-24.75,;77.88,-23.97,;75.18,-23.97,;73.83,-24.74,;72.51,-25.53,;72.51,-23.99,;71.27,-23.22,;71.26,-21.65,;69.91,-20.88,;68.57,-21.67,;67.22,-20.89,;65.88,-21.67,;65.88,-23.23,;67.23,-24.01,;68.57,-23.23,;69.92,-24,;64.54,-23.99,;63.21,-23.24,;64.54,-25.53,;63.21,-26.3,;61.88,-25.53,;69.85,-34.77,;71.17,-35.53,;68.51,-35.52,)| Show InChI InChI=1S/C33H43N5O6/c1-19(2)28-30(41)35-21(4)31(42)38-17-5-6-26(37-38)29(40)34-20(3)25-10-9-23-8-7-22(18-27(23)36-25)11-14-33(32(43)44-28)15-12-24(39)13-16-33/h7-11,14,18-21,24,26,28,37,39H,5-6,12-13,15-17H2,1-4H3,(H,34,40)(H,35,41)/b14-11+/t20-,21+,24?,26+,28+,33?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cy5-labeled cyclosporin A binding to full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed i... |
J Med Chem 61: 9473-9499 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00802
BindingDB Entry DOI: 10.7270/Q2ZG6VTH |
More data for this
Ligand-Target Pair | |
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