BDBM50237159 CHEMBL4088639

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

InChI Key: InChIKey=NHDFEXRNVMOWCZ-UHFFFAOYSA-N

Data: 6 KI  2 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 = 50237159   

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))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO 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(2) dopamine receptor (Homo sapiens (Human))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase with 5 nM ATP				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))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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 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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	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 Binding affinity towards rat Alpha-1A adrenergic receptor				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))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay				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))	BDBM50237159 (CHEMBL4088639) Show SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1 Show InChI InChI=1S/C23H27N5O3/c1-31-22-6-3-2-5-20(22)27-13-11-26(12-14-27)9-4-7-23(30)25-19-8-10-28-21(15-19)18(17-29)16-24-28/h2-3,5-6,8,10,15-17H,4,7,9,11-14H2,1H3,(H,25,30)	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	n/a	n/a	150	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