BindingDB PrimarySearch

BDBM50349799 CHEMBL1812745::RTI-112

SMILES: COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C

InChI Key: InChIKey=VMITZEMDDZVHBZ-XNISGKROSA-N

Data: 3 KI 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50349799
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP K_i Database									J Pharmacol Exp Ther 289: 1229-36 (1999) BindingDB Entry DOI: 10.7270/Q2TX3CWQ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP K_i Database									J Pharmacol Exp Ther 289: 1229-36 (1999) BindingDB Entry DOI: 10.7270/Q2TX3CWQ
					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by PDSP K_i Database									J Pharmacol Exp Ther 289: 1229-36 (1999) BindingDB Entry DOI: 10.7270/Q2TX3CWQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting				J Med Chem 53: 8345-53 (2010) Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human SERTexpressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake after 10 mins by scintillation counting				J Med Chem 53: 8345-53 (2010) Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of human DAT expressed in HEK293 cells assessed as inhibition of [3H]DA reuptake after 10 mins by scintillation counting				J Med Chem 53: 8345-53 (2010) Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50349799 (CHEMBL1812745 \| RTI-112) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity against human alpha4beta2 nAChR in SHEP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ efflux				J Med Chem 53: 8345-53 (2010) Article DOI: 10.1021/jm100994w BindingDB Entry DOI: 10.7270/Q24M95H8
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair