BDBM50048233 1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine::CHEMBL28321

SMILES: COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1

InChI Key: InChIKey=UPXJKNQVKALXKP-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 = 50048233   

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))	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Bari Curated by ChEMBL					Assay Description In vitro binding affinity was measured at the cloned human Dopamine receptor D4.2 using [3H]-YM-09151-2 as radioligand.				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
Dopamine D2 receptor (Cercopithecus aethiops)	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from human Dopamine receptor D4				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Bari Curated by ChEMBL					Assay Description In vitro binding affinity was measured at the cloned human Dopamine receptor D2 using [3H]-spiroperidol as radioligand.				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))	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-YM-09151-2 from human Dopamine receptor D4.2 expressed in baculovirus Sf9 cells				Bioorg Med Chem Lett 7: 1327-1330 (1997) Article DOI: 10.1016/S0960-894X(97)00218-7 BindingDB Entry DOI: 10.7270/Q2P55NJG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Chlorocebus aethiops)	BDBM50048233 (1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmet...) Show SMILES COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3	PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [3H]-YM 09151 from african moonkey Dopamine receptor D3				J Med Chem 38: 4950-2 (1996) BindingDB Entry DOI: 10.7270/Q2FX7B33
					More data for this Ligand-Target Pair