BDBM85825 CAS_219019::NSC_219019::OPC-28326

SMILES CCC(=O)Nc1c(C)cc(cc1C)C(=O)N1CCC(CC1)N(C)CCc1ccccc1

InChI Key InChIKey=BESKMDLUOAVUJF-UHFFFAOYSA-N

Data  2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 85825   

TargetAlpha-2C adrenergic receptor(RAT)
Otsuka Maryland Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM85825(CAS_219019 | NSC_219019 | OPC-28326)
Show SMILES CCC(=O)Nc1c(C)cc(cc1C)C(=O)N1CCC(CC1)N(C)CCc1ccccc1
Show InChI InChI=1S/C26H35N3O2/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30)
Affinity DataKi:  13.7nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
Otsuka Maryland Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM85825(CAS_219019 | NSC_219019 | OPC-28326)
Show SMILES CCC(=O)Nc1c(C)cc(cc1C)C(=O)N1CCC(CC1)N(C)CCc1ccccc1
Show InChI InChI=1S/C26H35N3O2/c1-5-24(30)27-25-19(2)17-22(18-20(25)3)26(31)29-15-12-23(13-16-29)28(4)14-11-21-9-7-6-8-10-21/h6-10,17-18,23H,5,11-16H2,1-4H3,(H,27,30)
Affinity DataKi:  3.84E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed