BDBM50148831 CHEMBL3770342

SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1

InChI Key InChIKey=DDIYHVZHGLOJAJ-UHFFFAOYSA-N

Data  12 KI  3 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50148831   

Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute of Biological Sciences

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  5.80nMAssay Description:Displacement of [3H]LSD from 5HT2B (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute of Biological Sciences

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  6.20nMAssay Description:Displacement of [3H]LSD from 5-HT2B receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  156nMAssay Description:Displacement of [3H]LSD from 5-HT2C receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  211nMAssay Description:Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 5A(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  227nMAssay Description:Displacement of [3H]LSD from 5-HT5A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  320nMAssay Description:Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  401nMAssay Description:Displacement of [3H]LSD from 5-HT7A receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  2.90E+3nMAssay Description:Displacement of [3H]GR127543 from 5-HT1D receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi:  3.03E+3nMAssay Description:Displacement of [3H]LSD from 5-HT6 receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]GR127543 from 5-HT1B receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]LY278584 from 5-HT3 receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]-5-HT from 5-HT1E receptor (unknown origin) after 1.5 hrs by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute of Biological Sciences

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataIC50: 33nMAssay Description:Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHO-K1 cells assessed as calcium flux after 60 mins by FLIPR assayMore data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
National Institute of Biological Sciences, Beijing

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human ERG channel by patch clamp assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
National Institute of Biological Sciences

Curated by ChEMBL
LigandPNGBDBM50148831(CHEMBL3770342)
Show SMILES NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1
Show InChI InChI=1S/C14H18BrN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
Affinity DataIC50: 35nMAssay Description:Antagonist activity at 5HT2B (unknown origin) expressed in CHOK1 cells assessed as inhibition of agonist-induced effect preincubated for 60 mins at 3...More data for this Ligand-Target Pair