BDBM50451492 CHEMBL2112943

SMILES: CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I

InChI Key: InChIKey=RKPWYMFEVAXQBZ-ZQDXIGBISA-N

Data: 1 KI  1 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 = 50451492   

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))	BDBM50451492 (CHEMBL2112943) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I |r,TLB:0:1:6.7.8:4.3,16:6:1:4.3| Show InChI InChI=1S/C23H29I2NO/c1-16-7-9-17(10-8-16)20-15-19-11-12-21(26(19)2)22(20)23(27)18(5-3-13-24)6-4-14-25/h3-4,7-10,13-14,18-22H,5-6,11-12,15H2,1-2H3/b13-3+,14-4+/t19?,20-,21?,22+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50451492 (CHEMBL2112943) Show SMILES CN1C2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)C(C\C=C\I)C\C=C\I |r,TLB:0:1:6.7.8:4.3,16:6:1:4.3| Show InChI InChI=1S/C23H29I2NO/c1-16-7-9-17(10-8-16)20-15-19-11-12-21(26(19)2)22(20)23(27)18(5-3-13-24)6-4-14-25/h3-4,7-10,13-14,18-22H,5-6,11-12,15H2,1-2H3/b13-3+,14-4+/t19?,20-,21?,22+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair