BDBM50274355 CHEMBL484358::N-[N'-(4-Ethynylcyclohex-3-en-1-yl)-N'-propyl-4-aminobutyl]-4-biphenylcarboxamide

SMILES: CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C

InChI Key: InChIKey=PWZPBZQTTHOCIS-UHFFFAOYSA-N

Data: 6 KI  2 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 = 50274355   

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))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.210	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 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(3) dopamine receptor (Homo sapiens (Human))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	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 wild type D3 receptor expressed in human HEK293 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))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	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
Dopamine D1 receptor (Sus scrofa)	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells by [3H]thymidine incorporation assay				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(3) dopamine receptor (Homo sapiens (Human))	BDBM50274355 (CHEMBL484358 | N-[N'-(4-Ethynylcyclohex-3-en-1-yl)...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCC(=CC1)C#C |c:28| Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Intrinsic activity at human D3 receptor expressed in CHO dhfr- cells assessed as inhibition of forskolin-induced cAMP release				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