BDBM50527864 CHEMBL4561808

SMILES: Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC

InChI Key: InChIKey=CWHBLABTNLKZBP-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 = 50527864   

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))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	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))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	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))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	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(1A) dopamine receptor (Homo sapiens (Human))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);1H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+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(1B) dopamine receptor (Homo sapiens (Human))	BDBM50527864 (CHEMBL4561808) Show SMILES Cl.CCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(F)ccc1OC Show InChI InChI=1S/C26H32FN3O2.ClH/c1-3-30(17-19-14-21(19)22-16-20(27)10-11-25(22)32-2)13-7-6-12-28-26(31)24-15-18-8-4-5-9-23(18)29-24;/h4-5,8-11,15-16,19,21,29H,3,6-7,12-14,17H2,1-2H3,(H,28,31);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