BDBM50052531 4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-phenylamine::CHEMBL108531

SMILES: Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1

InChI Key: InChIKey=STFIELBPKGAKNX-UHFFFAOYSA-N

Data: 8 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 9 hits for monomerid = 50052531   

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(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	47.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards dopamine receptor D2 of rat striatal membrane was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for their affinity against dopamine receptor D2 by displacing [3H]-spiperone in rat striatal membrane				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D4 in CHO-K1 cells using [3H]-Spiperone as radioligand				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	229	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4 was determined				Bioorg Med Chem Lett 15: 2149-57 (2005) Article DOI: 10.1016/j.bmcl.2005.02.012 BindingDB Entry DOI: 10.7270/Q2RR20G2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D1 using radioligand ([3H]-SCH 23390) binding assay				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity againstserotonin 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT binding assay				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50052531 (4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...) Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15| Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Compound was evaluated for effective concentration in vivo for Dopamine receptor D2 mitogenesis. (95% confidence intervals)				J Med Chem 39: 3179-87 (1996) Article DOI: 10.1021/jm950721m BindingDB Entry DOI: 10.7270/Q23N22GZ
					More data for this Ligand-Target Pair