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BDBM50400520 CHEMBL2204932

SMILES: Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1

InChI Key: InChIKey=RMUNXROCBCEXAA-DBHKEIOZNA-N

Data: 1 KI  3 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 4 hits for monomerid = 50400520   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50400520
PNG
(CHEMBL2204932)
Show SMILES Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21+/s2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
385n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of radiolabeled MK-499 from human ERG channel


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair
SSTR3


(MOUSE)
BDBM50400520
PNG
(CHEMBL2204932)
Show SMILES Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21+/s2
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50400520
PNG
(CHEMBL2204932)
Show SMILES Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21+/s2
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human SSTR3 transfected in CHO cells assessed as inhibition of SRIF-induced reduction of cAMP accumulation after 45 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50400520
PNG
(CHEMBL2204932)
Show SMILES Cc1nc(no1)[C@H]1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cc1
Show InChI InChI=1/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21+/s2
Reactome pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-28 from human SSTR3 transfected in CHO cells after 60 to 90 mins


ACS Med Chem Lett 3: 484-489 (2012)


Article DOI: 10.1021/ml300063m
BindingDB Entry DOI: 10.7270/Q2V9897C
More data for this
Ligand-Target Pair