BDBM50275828 CHEMBL507806::N-Allyl-N-(2-thiazolyl)methyl (1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarboxamide

SMILES: NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1

InChI Key: InChIKey=JOHKRZVJVWMMNT-LRDDRELGSA-N

Data: 4 IC50

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 = 50275828   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells by patch-clamp method				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275828 (CHEMBL507806 | N-Allyl-N-(2-thiazolyl)methyl (1R,2...) Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)Cc1nccs1)c1cccs1 |r| Show InChI InChI=1S/C16H19N3OS2/c1-2-6-19(11-14-18-5-8-22-14)15(20)16(9-12(16)10-17)13-4-3-7-21-13/h2-5,7-8,12H,1,6,9-11,17H2/t12-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter				J Med Chem 51: 7265-72 (2009) Article DOI: 10.1021/jm8009537 BindingDB Entry DOI: 10.7270/Q2H41SCG
					More data for this Ligand-Target Pair