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BDBM81978 CAS_159037::NSC_159037::R 56413

SMILES: [#6]-c1nc2ccccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=ZGUPMFYFHHSNFK-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 81978   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM81978
PNG
(CAS_159037 | NSC_159037 | R 56413)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3
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PC sid
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6n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81978
PNG
(CAS_159037 | NSC_159037 | R 56413)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3
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PC sid
UniChem
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257n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM81978
PNG
(CAS_159037 | NSC_159037 | R 56413)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
282n/an/an/an/an/an/an/an/a



The Oregon Health Sciences University

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 8784-8 (1986)


Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD
More data for this
Ligand-Target Pair