BDBM50302932 1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one::CHEMBL566418

SMILES: CC(NC1CCC1)C(=O)c1cccc(Cl)c1

InChI Key: InChIKey=HKOVZQZDXNHYOJ-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50302932   

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))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	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))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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 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))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.45E+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 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 serotonin transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at 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 noradrenaline transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at 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 dopamine transporter (Homo sapiens (Human))	BDBM50302932 (1-(3-chlorophenyl)-2-(cyclobutylamino)propan-1-one...) Show SMILES CC(NC1CCC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C13H16ClNO/c1-9(15-12-6-3-7-12)13(16)10-4-2-5-11(14)8-10/h2,4-5,8-9,12,15H,3,6-7H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	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