BDBM50274357 CHEMBL491466::N-[4-[4-(4-Biphenyl)triazol-1-yl]butyl]-N-propyl-N-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]amine

SMILES: CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1

InChI Key: InChIKey=VZFYQAAXSLVYIL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50274357   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50274357 (CHEMBL491466 | N-[4-[4-(4-Biphenyl)triazol-1-yl]bu...) Show SMILES CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:31| Show InChI InChI=1S/C35H38N4/c1-2-25-38(34-23-17-30(18-24-34)16-15-29-11-5-3-6-12-29)26-9-10-27-39-28-35(36-37-39)33-21-19-32(20-22-33)31-13-7-4-8-14-31/h3-8,11-14,17,19-22,28,34H,2,9-10,18,23-27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells				J Med Chem 51: 6829-38 (2008) Article DOI: 10.1021/jm800895v BindingDB Entry DOI: 10.7270/Q2SN08TC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50274357 (CHEMBL491466 | N-[4-[4-(4-Biphenyl)triazol-1-yl]bu...) Show SMILES CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:31| Show InChI InChI=1S/C35H38N4/c1-2-25-38(34-23-17-30(18-24-34)16-15-29-11-5-3-6-12-29)26-9-10-27-39-28-35(36-37-39)33-21-19-32(20-22-33)31-13-7-4-8-14-31/h3-8,11-14,17,19-22,28,34H,2,9-10,18,23-27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2short receptor expressed in CHO cells				J Med Chem 51: 6829-38 (2008) Article DOI: 10.1021/jm800895v BindingDB Entry DOI: 10.7270/Q2SN08TC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50274357 (CHEMBL491466 | N-[4-[4-(4-Biphenyl)triazol-1-yl]bu...) Show SMILES CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:31| Show InChI InChI=1S/C35H38N4/c1-2-25-38(34-23-17-30(18-24-34)16-15-29-11-5-3-6-12-29)26-9-10-27-39-28-35(36-37-39)33-21-19-32(20-22-33)31-13-7-4-8-14-31/h3-8,11-14,17,19-22,28,34H,2,9-10,18,23-27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2long receptor expressed in CHO cells				J Med Chem 51: 6829-38 (2008) Article DOI: 10.1021/jm800895v BindingDB Entry DOI: 10.7270/Q2SN08TC
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50274357 (CHEMBL491466 | N-[4-[4-(4-Biphenyl)triazol-1-yl]bu...) Show SMILES CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:31| Show InChI InChI=1S/C35H38N4/c1-2-25-38(34-23-17-30(18-24-34)16-15-29-11-5-3-6-12-29)26-9-10-27-39-28-35(36-37-39)33-21-19-32(20-22-33)31-13-7-4-8-14-31/h3-8,11-14,17,19-22,28,34H,2,9-10,18,23-27H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells				J Med Chem 51: 6829-38 (2008) Article DOI: 10.1021/jm800895v BindingDB Entry DOI: 10.7270/Q2SN08TC
					More data for this Ligand-Target Pair
Dopamine D1 receptor (Sus scrofa)	BDBM50274357 (CHEMBL491466 | N-[4-[4-(4-Biphenyl)triazol-1-yl]bu...) Show SMILES CCCN(CCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#Cc1ccccc1 |c:31| Show InChI InChI=1S/C35H38N4/c1-2-25-38(34-23-17-30(18-24-34)16-15-29-11-5-3-6-12-29)26-9-10-27-39-28-35(36-37-39)33-21-19-32(20-22-33)31-13-7-4-8-14-31/h3-8,11-14,17,19-22,28,34H,2,9-10,18,23-27H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+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 Displacement of [3H]SCH23390 from D1 receptor in pig striatal membrane				J Med Chem 51: 6829-38 (2008) Article DOI: 10.1021/jm800895v BindingDB Entry DOI: 10.7270/Q2SN08TC
					More data for this Ligand-Target Pair