BDBM50302920 2-(N-Isopropylamino)-3'-chloropropiophenone::CHEMBL565397

SMILES: CC(C)NC(C)C(=O)c1cccc(Cl)c1

InChI Key: InChIKey=WHPARCHZPIKXEX-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50302920   

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))	BDBM50302920 (2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...) Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50302920 (2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...) Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50302920 (2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...) Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50302920 (2-(N-Isopropylamino)-3'-chloropropiophenone | CHEM...) Show SMILES CC(C)NC(C)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells				J Med Chem 52: 6768-81 (2009) Checked by Author Article DOI: 10.1021/jm901189z BindingDB Entry DOI: 10.7270/Q2ZK5HMB
					More data for this Ligand-Target Pair