BDBM50021912 6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;HCl::CHEMBL286849

SMILES: FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12

InChI Key: InChIKey=LWXKKDYZAXBAPH-ZWKOTPCHSA-N

Data: 13 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 13 hits for monomerid = 50021912   

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
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus)	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards alpha-1 adrenergic receptor				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 2 receptor				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus)	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50021912 (6-(3-Trifluoromethyl-phenyl)-1,2,3,5,6,10b-hexahyd...) Show SMILES FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-6-3-5-13(11-14)17-12-23-10-4-9-18(23)16-8-2-1-7-15(16)17/h1-3,5-8,11,17-18H,4,9-10,12H2/t17-,18+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes				J Med Chem 30: 1433-54 (1987) BindingDB Entry DOI: 10.7270/Q2D50NJ3
					More data for this Ligand-Target Pair