BDBM50027081 CHEMBL3335555

SMILES: Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1

InChI Key: InChIKey=PSDFKKSPYSFZKR-LJQANCHMSA-N

Data: 2 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 5 hits for monomerid = 50027081   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50027081 (CHEMBL3335555) Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D4 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50027081 (CHEMBL3335555) Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D3 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50027081 (CHEMBL3335555) Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D3 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50027081 (CHEMBL3335555) Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D4 receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027081 (CHEMBL3335555) Show SMILES Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of human dopamine D2L receptor				ACS Med Chem Lett 5: 1060-4 (2014) Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM
					More data for this Ligand-Target Pair