BDBM50401945 CHEMBL2207640

SMILES: COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1

InChI Key: InChIKey=PLYQWXWXIUOYQJ-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50401945   

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))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
5-HT2 (PIG)	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]URDE257 from human histamine H2 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation countin...				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scinti...				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]UR-PI294 from human histamine H4 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation counti...				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50401945 (CHEMBL2207640) Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1 Show InChI InChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from human histamine H1 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation coun...				Bioorg Med Chem Lett 22: 7151-4 (2012) Article DOI: 10.1016/j.bmcl.2012.09.064 BindingDB Entry DOI: 10.7270/Q2Q52QSM
					More data for this Ligand-Target Pair