BDBM50343787 CHEMBL1774383::N-(3-Fluoro-4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-6-phenylnicotinamide

SMILES: COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1

InChI Key: InChIKey=DXTFDOIEUMNMMV-UHFFFAOYSA-N

Data: 4 KI  2 IC50  1 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 7 hits for monomerid = 50343787   

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))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.5	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]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	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				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	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]-IABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.06E+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 5HT2A receptor				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	71.6	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 assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	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 CHOp cells assessed as inhibition of quinopirole-induced mitogenisis				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50343787 (CHEMBL1774383 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) Show SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 Show InChI InChI=1S/C27H31FN4O2/c1-34-26-8-3-2-7-25(26)32-18-16-31(17-19-32)20-23(28)13-15-30-27(33)22-11-9-21(10-12-22)24-6-4-5-14-29-24/h2-12,14,23H,13,15-20H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	699	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-K1 cells assessed as inhibition of dopamine-induced recruitment of beta-arrestin-2...				J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K
					More data for this Ligand-Target Pair