BDBM50115717 1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-piperazine::CHEMBL57176

SMILES: C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1

InChI Key: InChIKey=VOPNYIHLMCVSPL-UHFFFAOYSA-N

Data: 7 KI  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 8 hits for monomerid = 50115717   

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))	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
5-HT2 (PIG)	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	PDB UniProtKB/SwissProt antibodypedia 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
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
DRD1 (BOVINE)	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50115717 (1-(4-Ethynyl-1H-pyrrol-2-ylmethyl)-4-phenyl-pipera...) Show SMILES C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C17H19N3/c1-2-15-12-16(18-13-15)14-19-8-10-20(11-9-19)17-6-4-3-5-7-17/h1,3-7,12-13,18H,8-11,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Effective concentration of compound required against human Dopamine D4.2 receptor				Bioorg Med Chem Lett 12: 1937-40 (2002) BindingDB Entry DOI: 10.7270/Q2T72J0V
					More data for this Ligand-Target Pair