BDBM50131658 CHEMBL117362::N-[ (2-( ( 3'-N-propyl-( 1''R) -3''beta- (4-fluorophenyl) trop-2''-ene-2''--carbomethoxy) (2-mercaptoethyl) amino) acetyl) -2-aminoethanethiolato)rhenium(V) oxide

SMILES: COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1

InChI Key: InChIKey=GTLQNZCAKTWKGS-UHFFFAOYSA-K

Data: 2 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 2 hits for monomerid = 50131658   

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 dopamine transporter (Homo sapiens (Human))	BDBM50131658 (CHEMBL117362 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...) Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8| Show InChI InChI=1S/C24H34FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19,21H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for dopamine transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-WIN- 35,428 displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50131658 (CHEMBL117362 | N-[ (2-( ( 3'-N-propyl-( 1''R) -3''...) Show SMILES COC(=O)C1=C(CC2CCC1N2CCCN1CCS[Re]2(=O)SCCN2C(=O)C1)c1ccc(F)cc1 |t:4,THB:12:11:4.5.6:9.8,2:4:11:9.8| Show InChI InChI=1S/C24H34FN3O3S2.O.Re/c1-31-24(30)23-20(17-3-5-18(25)6-4-17)15-19-7-8-21(23)28(19)11-2-10-27(12-14-33)16-22(29)26-9-13-32;;/h3-6,19,21H,2,7-16H2,1H3,(H3,26,29,32,33);;/q;;+4/p-3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro affinity for serotonin transporter in Rhesus (Macaca mulatta) or Cynomolgus (Macaca fasicularis) monkey striata using [3H]-citalopram displa...				J Med Chem 46: 3483-96 (2003) Article DOI: 10.1021/jm0301484 BindingDB Entry DOI: 10.7270/Q2CZ36JG
					More data for this Ligand-Target Pair