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BDBM50219321 CHEMBL2112934

SMILES: CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1

InChI Key: InChIKey=KVIKYOLALNLOME-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50219321   
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))
BDBM50219321
PNG
(CHEMBL2112934)
Show SMILES CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1
Show InChI InChI=1S/C30H34N6O/c1-30(2,29(37)32-16-14-22-18-33-25-12-7-6-11-24(22)25)27-20-36-19-23(17-21-9-4-3-5-10-21)34-26(13-8-15-31)28(36)35-27/h3-7,9-12,18-20,33H,8,13-17,31H2,1-2H3,(H,32,37)
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PC cid
PC sid
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Similars

PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant on human somatostatin receptor 5


Bioorg Med Chem Lett 11: 741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2Z3205B
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50219321
PNG
(CHEMBL2112934)
Show SMILES CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1
Show InChI InChI=1S/C30H34N6O/c1-30(2,29(37)32-16-14-22-18-33-25-12-7-6-11-24(22)25)27-20-36-19-23(17-21-9-4-3-5-10-21)34-26(13-8-15-31)28(36)35-27/h3-7,9-12,18-20,33H,8,13-17,31H2,1-2H3,(H,32,37)
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant on human somatostatin receptor type 3


Bioorg Med Chem Lett 11: 741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2Z3205B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50219321
PNG
(CHEMBL2112934)
Show SMILES CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1
Show InChI InChI=1S/C30H34N6O/c1-30(2,29(37)32-16-14-22-18-33-25-12-7-6-11-24(22)25)27-20-36-19-23(17-21-9-4-3-5-10-21)34-26(13-8-15-31)28(36)35-27/h3-7,9-12,18-20,33H,8,13-17,31H2,1-2H3,(H,32,37)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.60E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant on human Somatostatin receptor type 1


Bioorg Med Chem Lett 11: 741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2Z3205B
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50219321
PNG
(CHEMBL2112934)
Show SMILES CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1
Show InChI InChI=1S/C30H34N6O/c1-30(2,29(37)32-16-14-22-18-33-25-12-7-6-11-24(22)25)27-20-36-19-23(17-21-9-4-3-5-10-21)34-26(13-8-15-31)28(36)35-27/h3-7,9-12,18-20,33H,8,13-17,31H2,1-2H3,(H,32,37)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.20E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant on human somatostatin receptor 4


Bioorg Med Chem Lett 11: 741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2Z3205B
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50219321
PNG
(CHEMBL2112934)
Show SMILES CC(C)(C(=O)NCCc1c[nH]c2ccccc12)c1cn2cc(Cc3ccccc3)nc(CCCN)c2n1
Show InChI InChI=1S/C30H34N6O/c1-30(2,29(37)32-16-14-22-18-33-25-12-7-6-11-24(22)25)27-20-36-19-23(17-21-9-4-3-5-10-21)34-26(13-8-15-31)28(36)35-27/h3-7,9-12,18-20,33H,8,13-17,31H2,1-2H3,(H,32,37)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.60E+3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant on human Somatostatin receptor type 2


Bioorg Med Chem Lett 11: 741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2Z3205B
More data for this
Ligand-Target Pair