BDBM50190608 CHEMBL213627::cis-(3S,6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(4-aminobenzyl)amine

SMILES: Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=VTGWHEQVLMWYAW-ZEQRLZLVSA-N

Data: 5 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 5 hits for monomerid = 50190608   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50190608 (CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex				J Med Chem 49: 4239-47 (2006) Article DOI: 10.1021/jm0601699 BindingDB Entry DOI: 10.7270/Q2XS5V05
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50190608 (CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins				Bioorg Med Chem 22: 311-24 (2013) Article DOI: 10.1016/j.bmc.2013.11.017 BindingDB Entry DOI: 10.7270/Q2FB54D1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50190608 (CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex				J Med Chem 49: 4239-47 (2006) Article DOI: 10.1021/jm0601699 BindingDB Entry DOI: 10.7270/Q2XS5V05
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190608 (CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of DAT-mediated [3H]DA uptake in rat striatum				J Med Chem 49: 4239-47 (2006) Article DOI: 10.1021/jm0601699 BindingDB Entry DOI: 10.7270/Q2XS5V05
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50190608 (CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...) Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN 35428 binding to rat striatum DAT				J Med Chem 49: 4239-47 (2006) Article DOI: 10.1021/jm0601699 BindingDB Entry DOI: 10.7270/Q2XS5V05
					More data for this Ligand-Target Pair