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SMILES: COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1

InChI Key: InChIKey=VDIKOHJQRNCQAT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50236966   

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))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibition of HDJ-2 farnesylation in PSN-1 cells				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	84	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 min...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236966 (CHEMBL4070091) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H26N6O2/c1-31-22-6-3-2-5-20(22)28-13-11-27(12-14-28)9-4-7-23(30)26-19-8-10-29-21(15-19)18(16-24)17-25-29/h2-3,5-6,8,10,15,17H,4,7,9,11-14H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Concentration required for the inhibitory activity against human Farnesyltransferase				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair