BDBM50111035 Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester::Benzoic acid 9-[1-(4-iodo-phenyl)-meth-(Z)-ylidene]-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester::CHEMBL58195

SMILES: Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1

InChI Key: InChIKey=MELFXABSQOCUHS-LDADJPATSA-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 = 50111035   

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))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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 [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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 re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.19E+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 Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter) into nerve ending synaptosomes prepared from brain regions				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111035 (Benzoic acid 9-(4-iodo-benzylidene)-7-aza-tricyclo...) Show SMILES Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25| Show InChI InChI=1S/C24H24INO2/c25-19-8-6-16(7-9-19)12-18-14-26-20-10-11-23(26)22(21(18)13-20)15-28-24(27)17-4-2-1-3-5-17/h1-9,12,20-23H,10-11,13-15H2/b18-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	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 reuptake of [3H]DA from dopamine transporter into nerve endings synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair