BDBM50050465 3-[4-(4-Iodo-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine::CHEMBL60518

SMILES: Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

InChI Key: InChIKey=OOEUHRGMLFVKQO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50050465   

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))	BDBM50050465 (3-[4-(4-Iodo-phenyl)-piperazin-1-ylmethyl]-1H-pyrr...) Show SMILES Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D4 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050465 (3-[4-(4-Iodo-phenyl)-piperazin-1-ylmethyl]-1H-pyrr...) Show SMILES Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D2 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50050465 (3-[4-(4-Iodo-phenyl)-piperazin-1-ylmethyl]-1H-pyrr...) Show SMILES Ic1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cloned human Dopamine receptor D3 stably expressed in CHO cells was evaluated using [3H]-spiperone as radioligand				J Med Chem 39: 1941-2 (1996) Article DOI: 10.1021/jm9600712 BindingDB Entry DOI: 10.7270/Q2MW2G6D
					More data for this Ligand-Target Pair