null

SMILES: COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1

InChI Key: InChIKey=RMGWJLOIEDIFJI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50068369   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D4 using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D3 of rat using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D2 using [3H]spiroperidol as radioligand				J Med Chem 45: 5727-35 (2002) BindingDB Entry DOI: 10.7270/Q2TT4RQC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Bari Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D2 by [3H]-spiroperidol displacement.				J Med Chem 41: 4903-9 (1998) Article DOI: 10.1021/jm981041x BindingDB Entry DOI: 10.7270/Q2S46R3V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Bari Curated by ChEMBL					Assay Description In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]-YM-09151-2 displacement.				J Med Chem 41: 4903-9 (1998) Article DOI: 10.1021/jm981041x BindingDB Entry DOI: 10.7270/Q2S46R3V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50068369 (3-Methoxy-N-[2-(4-pyridin-2-yl-piperazin-1-yl)-eth...) Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H24N4O2/c1-25-17-6-4-5-16(15-17)19(24)21-9-10-22-11-13-23(14-12-22)18-7-2-3-8-20-18/h2-8,15H,9-14H2,1H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Bari Curated by ChEMBL					Assay Description Binding affinity was measured at the serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in rat hippocampal membrane.				J Med Chem 41: 4903-9 (1998) Article DOI: 10.1021/jm981041x BindingDB Entry DOI: 10.7270/Q2S46R3V
					More data for this Ligand-Target Pair