BDBM50454831 NAPAMEZOLE::Napamezole

SMILES: C(C1=NCCN1)C1=Cc2ccccc2CC1

InChI Key: InChIKey=WETRBJOSGIDJHQ-UHFFFAOYSA-N

Data: 7 KI  1 IC50

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 8 hits for monomerid = 50454831   

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))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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 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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro				J Med Chem 30: 1482-9 (1987) BindingDB Entry DOI: 10.7270/Q2WS8WGP
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]clonidine from alpha-2 adrenergic receptor in rat brain homogenates in vitro				J Med Chem 30: 1482-9 (1987) BindingDB Entry DOI: 10.7270/Q2WS8WGP
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to displace [3H]prazosin from alpha-1 adrenergic receptor in rat brain homogenates in vitro				J Med Chem 30: 1482-9 (1987) BindingDB Entry DOI: 10.7270/Q2WS8WGP
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	100	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))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 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)	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	<1.00E+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 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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50454831 (NAPAMEZOLE | Napamezole) Show SMILES C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7| Show InChI InChI=1S/C14H16N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-4,9H,5-8,10H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	887	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Park Curated by ChEMBL					Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex				J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W
					More data for this Ligand-Target Pair