BDBM50001201 CHEMBL2112784

SMILES: C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1

InChI Key: InChIKey=UDPONPQEXNUGCI-OALUTQOASA-N

Data: 4 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 5 hits for monomerid = 50001201   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50001201 (CHEMBL2112784) Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r| Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	351	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description The compound was tested for binding affinity of Sigma opioid receptor type 2 in rat liver membranes using [3H]DTG ligand				J Med Chem 42: 4446-55 (1999) BindingDB Entry DOI: 10.7270/Q2NS0VMV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50001201 (CHEMBL2112784) Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r| Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	813	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity Sprague-Dawley rats using [3H]WIN-35428 ligand				J Med Chem 42: 4446-55 (1999) BindingDB Entry DOI: 10.7270/Q2NS0VMV
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50001201 (CHEMBL2112784) Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r| Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description The compound was tested for binding affinity nisoxatine ligand				J Med Chem 42: 4446-55 (1999) BindingDB Entry DOI: 10.7270/Q2NS0VMV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50001201 (CHEMBL2112784) Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r| Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity against Serotonin transporter in male Sprague-Dawley rats using [3H]paroxetine ligand				J Med Chem 42: 4446-55 (1999) BindingDB Entry DOI: 10.7270/Q2NS0VMV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50001201 (CHEMBL2112784) Show SMILES C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r| Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of Dopamine uptake in male Sprague-Dawley rats using [3H]DA ligand				J Med Chem 42: 4446-55 (1999) BindingDB Entry DOI: 10.7270/Q2NS0VMV
					More data for this Ligand-Target Pair