Found 6 hits for monomerid = 50347497 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 |
|---|
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50347497
(CHEMBL384903)Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)| Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to Hsp90alpha N-terminal ATPase domain by TR-FRET assay based competitive binding assay |
Bioorg Med Chem Lett 20: 7503-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.010
BindingDB Entry DOI: 10.7270/Q2JS9QSX |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-alpha
(Homo sapiens (Human)) | BDBM50347497
(CHEMBL384903)Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)| Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90alpha ATPase activity by malachite green ATP-ase assay |
Bioorg Med Chem Lett 20: 7503-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.010
BindingDB Entry DOI: 10.7270/Q2JS9QSX |
More data for this
Ligand-Target Pair | |
Calcium-activated potassium channel subunit alpha-1
(Rattus norvegicus) | BDBM50347497
(CHEMBL384903)Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)| Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Activation of BK channel in Wistar rat thoracic aorta assessed as relaxation of KCl-induced contraction |
Eur J Med Chem 43: 2618-26 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.032
BindingDB Entry DOI: 10.7270/Q2WM1FMQ |
More data for this
Ligand-Target Pair | |
Calcium-activated potassium channel subunit alpha-1
(Rattus norvegicus) | BDBM50347497
(CHEMBL384903)Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)| Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Induction of BK channel mediated vasorelaxation activity in Kcl-induced contraction in Wistar rat aorta |
Eur J Med Chem 43: 792-9 (2008)
Article DOI: 10.1016/j.ejmech.2007.06.005
BindingDB Entry DOI: 10.7270/Q2JM2BVW |
More data for this
Ligand-Target Pair | |
Calcium-activated potassium channel subunit alpha-1
(Rattus norvegicus) | BDBM50347497
(CHEMBL384903)Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)| Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Pisa
Curated by ChEMBL
| Assay Description
Activation of large-conductance calcium-activated potassium channel-mediated vasorelaxation in endothelium-denuded normotensive Wistar rat thoracic a... |
J Med Chem 51: 5085-92 (2008)
Article DOI: 10.1021/jm701605f
BindingDB Entry DOI: 10.7270/Q2R49S16 |
More data for this
Ligand-Target Pair | |
Calcium-activated potassium channel alpha/beta 1
(Homo sapiens (Human)) | BDBM50347497
(CHEMBL384903)Show SMILES Oc1ccc(cc1-n1c2ccc(cc2[nH]c1=O)C(F)(F)F)C(F)(F)F |(19.17,-33.76,;20.68,-34.08,;21.16,-35.54,;22.67,-35.85,;23.69,-34.69,;23.2,-33.23,;21.7,-32.94,;21.22,-31.47,;19.75,-31.01,;18.41,-31.79,;17.08,-31.01,;17.08,-29.47,;18.41,-28.7,;19.74,-29.46,;21.21,-28.98,;22.12,-30.22,;23.66,-30.22,;15.74,-28.7,;14.4,-27.93,;16.51,-27.37,;14.98,-30.04,;25.2,-35,;26.69,-35.39,;25.55,-33.5,;24.86,-36.5,)| Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Activation of BK channel-mediated vasorelaxation activity assessed as reduction in KCl-induced contractile tone |
Bioorg Med Chem 17: 319-25 (2008)
Article DOI: 10.1016/j.bmc.2008.10.068
BindingDB Entry DOI: 10.7270/Q2P84D59 |
More data for this
Ligand-Target Pair | |
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