BDBM50164847 CHEMBL3799626

SMILES: CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23

InChI Key: InChIKey=OJVDNCHTCHUSCE-HSZRJFAPSA-N

Data: 4 KI  4 EC50

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 8 hits for monomerid = 50164847   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Displacement of [3H]N-methylspiperone from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Agonist activity at recombinant human D2 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]t...				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	125	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Agonist activity at human D3 receptor transfected in HEK293T cells by BRET based G0 activation assay				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Agonist activity at recombinant human D3 receptor expressing in CHOp cells assessed as receptor mediated stimulation of mitogenesis measured as [3H]t...				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50164847 (CHEMBL3799626) Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r| Show InChI InChI=1S/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	109	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Agonist activity at human D2 receptor transfected in HEK293T cells by BRET based G0 activation assay				J Med Chem 59: 2973-88 (2016) BindingDB Entry DOI: 10.7270/Q2708393
					More data for this Ligand-Target Pair