BDBM50311816 1-(4-(4-(4-(2,6-dip-tolylisonicotinoyl)piperazin-1-yl)piperidine-1-carbonyl)piperidin-1-yl)ethanone::CHEMBL1076223

SMILES: CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1

InChI Key: InChIKey=YZIRPGUREXXEJC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50311816   

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
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50311816 (1-(4-(4-(4-(2,6-dip-tolylisonicotinoyl)piperazin-1...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C37H45N5O3/c1-26-4-8-29(9-5-26)34-24-32(25-35(38-34)30-10-6-27(2)7-11-30)37(45)42-22-20-40(21-23-42)33-14-18-41(19-15-33)36(44)31-12-16-39(17-13-31)28(3)43/h4-11,24-25,31,33H,12-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1				Bioorg Med Chem Lett 19: 6645-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.012 BindingDB Entry DOI: 10.7270/Q2ZP468S
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50311816 (1-(4-(4-(4-(2,6-dip-tolylisonicotinoyl)piperazin-1...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C37H45N5O3/c1-26-4-8-29(9-5-26)34-24-32(25-35(38-34)30-10-6-27(2)7-11-30)37(45)42-22-20-40(21-23-42)33-14-18-41(19-15-33)36(44)31-12-16-39(17-13-31)28(3)43/h4-11,24-25,31,33H,12-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of c-Myc tagged human recombinant ACC2 expressed in baculovirus infected Sf9 cell system assessed as malonyl-CoA synthesis				Bioorg Med Chem 19: 1580-93 (2011) Article DOI: 10.1016/j.bmc.2011.01.041 BindingDB Entry DOI: 10.7270/Q2NS0VWF
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50311816 (1-(4-(4-(4-(2,6-dip-tolylisonicotinoyl)piperazin-1...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C37H45N5O3/c1-26-4-8-29(9-5-26)34-24-32(25-35(38-34)30-10-6-27(2)7-11-30)37(45)42-22-20-40(21-23-42)33-14-18-41(19-15-33)36(44)31-12-16-39(17-13-31)28(3)43/h4-11,24-25,31,33H,12-23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of c-Myc tagged human recombinant ACC1 expressed in baculovirus infected Sf9 cell system assessed as malonyl-CoA synthesis				Bioorg Med Chem 19: 1580-93 (2011) Article DOI: 10.1016/j.bmc.2011.01.041 BindingDB Entry DOI: 10.7270/Q2NS0VWF
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50311816 (1-(4-(4-(4-(2,6-dip-tolylisonicotinoyl)piperazin-1...) Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C37H45N5O3/c1-26-4-8-29(9-5-26)34-24-32(25-35(38-34)30-10-6-27(2)7-11-30)37(45)42-22-20-40(21-23-42)33-14-18-41(19-15-33)36(44)31-12-16-39(17-13-31)28(3)43/h4-11,24-25,31,33H,12-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2				Bioorg Med Chem Lett 19: 6645-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.012 BindingDB Entry DOI: 10.7270/Q2ZP468S
					More data for this Ligand-Target Pair