BDBM50527882 CHEMBL4442408

SMILES: Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC

InChI Key: InChIKey=SSQQZDDUGAUYAE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50527882   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-Mesulergine from recombinant human 5HT2C receptor expressed in HEKT cell membranes measured after 90 mins by microbeta scintilla...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D4 receptor stably expressed in HEK cell membranes measured after 90 mins by microbeta ...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from recombinant human D1 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta sci...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from recombinant human D2 receptor stably expressed in fibroblast cell membranes measured after 90 mins by mic...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50527882 (CHEMBL4442408) Show SMILES Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C30H36FN3O2.ClH/c1-3-17-34(21-24-19-26(24)27-20-25(31)13-14-29(27)36-2)18-7-6-16-33-30(35)23-11-9-22(10-12-23)28-8-4-5-15-32-28;/h4-5,8-15,20,24,26H,3,6-7,16-19,21H2,1-2H3,(H,33,35);1H	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of [3H]-SCH23390 from recombinant human D5 receptor transiently expressed in HEKT cell membranes measured after 90 mins by microbeta sci...				J Med Chem 63: 4579-4602 (2020) Article DOI: 10.1021/acs.jmedchem.9b01835
					More data for this Ligand-Target Pair