BDBM50095136 (3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid 4-[(3-trifluoromethyl-benzoylamino)-methyl]-benzylamide::CHEMBL92880

SMILES: CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=CYORBGPGFWOAPN-IZZNHLLZSA-N

Data: 3 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 3 hits for monomerid = 50095136   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50095136 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29ClF3N3O2/c1-36-14-13-25(21-9-11-24(30)12-10-21)26(18-36)28(38)35-17-20-7-5-19(6-8-20)16-34-27(37)22-3-2-4-23(15-22)29(31,32)33/h2-12,15,25-26H,13-14,16-18H2,1H3,(H,34,37)(H,35,38)/t25-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT uptake into rat synaptosomes by Serotonin transporter				Bioorg Med Chem Lett 10: 2741-3 (2000) BindingDB Entry DOI: 10.7270/Q2KK9B1R
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50095136 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29ClF3N3O2/c1-36-14-13-25(21-9-11-24(30)12-10-21)26(18-36)28(38)35-17-20-7-5-19(6-8-20)16-34-27(37)22-3-2-4-23(15-22)29(31,32)33/h2-12,15,25-26H,13-14,16-18H2,1H3,(H,34,37)(H,35,38)/t25-,26+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	508	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of norepinephrine transporter by inhibition of [3H]-NE uptake into rat nerve endings (synaptosomes)				Bioorg Med Chem Lett 10: 2741-3 (2000) BindingDB Entry DOI: 10.7270/Q2KK9B1R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50095136 ((3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H29ClF3N3O2/c1-36-14-13-25(21-9-11-24(30)12-10-21)26(18-36)28(38)35-17-20-7-5-19(6-8-20)16-34-27(37)22-3-2-4-23(15-22)29(31,32)33/h2-12,15,25-26H,13-14,16-18H2,1H3,(H,34,37)(H,35,38)/t25-,26+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA uptake at Dopamine transporter into rat nerve endings (synaptosomes)				Bioorg Med Chem Lett 10: 2741-3 (2000) BindingDB Entry DOI: 10.7270/Q2KK9B1R
					More data for this Ligand-Target Pair