BDBM50104924 CHEMBL3597649

SMILES: COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1

InChI Key: InChIKey=FKBRVKLQNBDXPE-UHFFFAOYSA-N

Data: 5 KI  1 IC50  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 = 50104924   

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))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2A receptor (unknown origin)				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	915	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [125I]DOI from 5HT2C receptor (unknown origin)				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at 5HT1A receptor (unknown origin) by [35S]GTPgammaS binding assay				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.950	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as stimulation of quinpirole-stimulated mitogenesis				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50104924 (CHEMBL3597649) Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1 Show InChI InChI=1S/C25H30N4O3/c1-32-24-9-5-4-8-23(24)29-14-12-28(13-15-29)18-21(30)10-11-26-25(31)20-16-19-6-2-3-7-22(19)27-17-20/h2-9,16-17,21,30H,10-15,18H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse- Intramural Research Program Curated by ChEMBL					Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO cells assessed as inhibition of quinpirole-stimulated mitogenesis				J Med Chem 58: 6195-213 (2015) BindingDB Entry DOI: 10.7270/Q2KS6T92
					More data for this Ligand-Target Pair