BDBM50473529 CHEMBL165529

SMILES: [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2

InChI Key: InChIKey=BAMMEMQIAYAJNE-OWCLPIDISA-N

Data: 5 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 5 hits for monomerid = 50473529   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50473529 (CHEMBL165529) Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6| Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50473529 (CHEMBL165529) Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6| Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50473529 (CHEMBL165529) Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6| Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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)	BDBM50473529 (CHEMBL165529) Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6| Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50473529 (CHEMBL165529) Show SMILES [H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6| Show InChI InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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