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SMILES: CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12

InChI Key: InChIKey=QKCBSVCHRGFMBU-PSWAGMNNSA-N

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 3 hits for monomerid = 50475418   
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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50475418
PNG
(CHEMBL434355)
Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
Show InChI InChI=1S/C34H38N4O2/c1-6-37-23(3)20-36(21-24(37)4)32-19-31-25(18-33(32)40-5)16-17-38(31)34(39)29-15-14-28(26-11-7-8-12-27(26)29)30-13-9-10-22(2)35-30/h7-15,18-19,23-24H,6,16-17,20-21H2,1-5H3/t23-,24+
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 15: 4708-12 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.085
BindingDB Entry DOI: 10.7270/Q2CC13F8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50475418
PNG
(CHEMBL434355)
Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
Show InChI InChI=1S/C34H38N4O2/c1-6-37-23(3)20-36(21-24(37)4)32-19-31-25(18-33(32)40-5)16-17-38(31)34(39)29-15-14-28(26-11-7-8-12-27(26)29)30-13-9-10-22(2)35-30/h7-15,18-19,23-24H,6,16-17,20-21H2,1-5H3/t23-,24+
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 15: 4708-12 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.085
BindingDB Entry DOI: 10.7270/Q2CC13F8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50475418
PNG
(CHEMBL434355)
Show SMILES CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
Show InChI InChI=1S/C34H38N4O2/c1-6-37-23(3)20-36(21-24(37)4)32-19-31-25(18-33(32)40-5)16-17-38(31)34(39)29-15-14-28(26-11-7-8-12-27(26)29)30-13-9-10-22(2)35-30/h7-15,18-19,23-24H,6,16-17,20-21H2,1-5H3/t23-,24+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 15: 4708-12 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.085
BindingDB Entry DOI: 10.7270/Q2CC13F8
More data for this
Ligand-Target Pair