BindingDB logo
myBDB logout

BDBM50468136 CHEMBL4287248

SMILES: OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O

InChI Key: InChIKey=UWHFPKPNAAYPQP-UHFFFAOYSA-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 = 50468136   
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
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 (unknown origin)


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor


(Mus musculus)
BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair