BDBM81807 ATIPAMEZOLE::CAS_104054-27-5::NSC_71310

SMILES: CCC1(Cc2ccccc2C1)c1cnc[nH]1

InChI Key: InChIKey=HSWPZIDYAHLZDD-UHFFFAOYSA-N

Data: 14 KI

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 14 hits for monomerid = 81807   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database					Assay Description In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand				J Med Chem 44: 787-805 (2001) Article DOI: 10.1021/jm001040g BindingDB Entry DOI: 10.7270/Q2JQ13R9
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
ADRA2C (OK)	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (NEONATAL RAT)	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Displacement of [3H]RS-79948-197 from recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane by scintillation counting method				Bioorg Med Chem 24: 3174-83 (2016) BindingDB Entry DOI: 10.7270/Q2NZ89J3
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
ADRA2C (OPOSSUM)	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	2.74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Curated by PDSP Ki Database									J Pharmacol Exp Ther 259: 323-9 (1991) BindingDB Entry DOI: 10.7270/Q2Z899WV
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database					Assay Description Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell				J Med Chem 44: 787-805 (2001) Article DOI: 10.1021/jm001040g BindingDB Entry DOI: 10.7270/Q2JQ13R9
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pierre Fabre Research Center Curated by ChEMBL					Assay Description Displacement of [3H]-prazosin from human adrenergic alpha-1b receptor expressed in CHO cells after 120 mins by liquid scintillation counting				J Med Chem 53: 6986-95 (2010) Article DOI: 10.1021/jm1006269 BindingDB Entry DOI: 10.7270/Q2T154X2
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database					Assay Description In vitro binding affinity against alpha-1 adrenergic receptor of rat in presence of [3H]-prazosin radioligand				J Med Chem 44: 787-805 (2001) Article DOI: 10.1021/jm001040g BindingDB Entry DOI: 10.7270/Q2JQ13R9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	<3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database					Assay Description In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand				J Med Chem 44: 787-805 (2001) Article DOI: 10.1021/jm001040g BindingDB Entry DOI: 10.7270/Q2JQ13R9
					More data for this Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus)	BDBM81807 (ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310) Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1 Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by PDSP Ki Database					Assay Description In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligand				J Med Chem 44: 787-805 (2001) Article DOI: 10.1021/jm001040g BindingDB Entry DOI: 10.7270/Q2JQ13R9
					More data for this Ligand-Target Pair