BDBM50536981 CHEMBL4577544

SMILES: CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O

InChI Key: InChIKey=CYNRAFPHCBCEFW-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50536981   

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 intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 mins in presence of (+)-pentazocine by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in rat brain membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	446	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter in rat brainstem membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in rat striatal membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H](-)-sulpiride from dopamine D2 receptor in rat brain membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair
Sigma opioid receptor (RAT)	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat))	BDBM50536981 (CHEMBL4577544) Show SMILES CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O Show InChI InChI=1S/C26H35FN4O/c1-2-3-6-16-30-24-9-4-5-10-25(24)31(26(30)32)17-8-7-15-28-18-20-29(21-19-28)23-13-11-22(27)12-14-23/h4-5,9-14H,2-3,6-8,15-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Displacement of [3H]bremazocine from opioid receptor in rat brain membranes after 120 mins by radioligand binding assay				Eur J Med Chem 165: 250-257 (2019) Article DOI: 10.1016/j.ejmech.2019.01.019
					More data for this Ligand-Target Pair