BDBM50078480 4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol::CHEMBL83781

SMILES: Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=DQZBYMUDSJTGLY-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 50078480   

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
Glutamate [NMDA] receptor subunit epsilon 3/zeta 1 (RAT-Rattus norvegicus (Rat))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description The compound was tested for antagonistic activity against rat NR1A/2C receptor expressed in Xenopus oocytes				J Med Chem 42: 2469-77 (1999) Article DOI: 10.1021/jm990148x BindingDB Entry DOI: 10.7270/Q24B30H5
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against rat NR1A/2A receptor, expressed in Xenopus oocytes				J Med Chem 42: 2469-77 (1999) Article DOI: 10.1021/jm990148x BindingDB Entry DOI: 10.7270/Q24B30H5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 from rat using [3H]-raclopride as radioligand				J Med Chem 42: 2469-77 (1999) Article DOI: 10.1021/jm990148x BindingDB Entry DOI: 10.7270/Q24B30H5
					More data for this Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 (Rattus norvegicus (Rat)-RAT)	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Antagonistic activity against rat NR1A/2B receptor expressed in Xenopus oocytes				J Med Chem 42: 2469-77 (1999) Article DOI: 10.1021/jm990148x BindingDB Entry DOI: 10.7270/Q24B30H5
					More data for this Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2A N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
NMDA receptor subtype 2A protein (NR2A) (Homo sapiens (Human))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Antagonistic activity against NR1A/2A receptors in frog oocytes				Bioorg Med Chem Lett 10: 527-9 (2000) BindingDB Entry DOI: 10.7270/Q26Q1WG4
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C (Homo sapiens (Human))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Antagonistic activity against NR1A/2C receptor in frog oocytes				Bioorg Med Chem Lett 10: 527-9 (2000) BindingDB Entry DOI: 10.7270/Q26Q1WG4
					More data for this Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2C N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
CoCensys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% Inhibition of responses at cloned NR1A/2AB N-methyl-D-aspartate (NMDA) expressed in Xenopus oocytes				J Med Chem 43: 3408-19 (2000) BindingDB Entry DOI: 10.7270/Q2VH5N26
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human))	BDBM50078480 (4-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-phenol ...) Show SMILES Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25NO/c24-22-11-9-19(10-12-22)6-4-5-15-23-16-13-21(14-17-23)18-20-7-2-1-3-8-20/h1-3,7-12,21,24H,5,13-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Antagonistic activity against NR1A/2B receptor in frog oocytes				Bioorg Med Chem Lett 10: 527-9 (2000) BindingDB Entry DOI: 10.7270/Q26Q1WG4
					More data for this Ligand-Target Pair