BDBM50099283 3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahydro-3-pyridinylcarboxamido]propyl}-4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahydro-3-pyridinecarboxamide::CHEMBL295463

SMILES: CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=YXUHGNSTVHJZTH-GWMMUDDPSA-N

Data: 4 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 4 hits for monomerid = 50099283   

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))	BDBM50099283 (3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	342	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 high affinity serotonin uptake into rat synaptosomes using [3H]5-HT				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50099283 (3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	373	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 Ability to inhibit high affinity uptake of norepinephrine transporter into the nerve endings of rat synaptosomes using [3H]NE as a radioligand				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099283 (3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.09E+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 high affinity DA uptake into rat synaptosomes using [3H]DA				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50099283 (3N-{3-[4-(4-chlorophenyl)-1-methyl-(3S,4R)-hexahyd...) Show SMILES CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H38Cl2N4O2/c1-34-16-12-24(20-4-8-22(30)9-5-20)26(18-34)28(36)32-14-3-15-33-29(37)27-19-35(2)17-13-25(27)21-6-10-23(31)11-7-21/h4-11,24-27H,3,12-19H2,1-2H3,(H,32,36)(H,33,37)/t24-,25-,26+,27+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.50E+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 Displacement of [3H]mazindol binding to dopamine transporter (DAT) in rat synaptosomes				J Med Chem 44: 1615-22 (2001) BindingDB Entry DOI: 10.7270/Q2513ZXB
					More data for this Ligand-Target Pair