BDBM50332544 CHEMBL1630719::N-(4-(4-(5-isopropoxy-5,6-dihydropyrazin-2-yloxy)phenyl)butan-2-yl)acetamide

SMILES: CC(C)OC1CN=C(Oc2ccc(CCC(C)NC(C)=O)cc2)C=N1

InChI Key: InChIKey=OZBDMJFOUOENCC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50332544   

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) (Rattus norvegicus (Rat))	BDBM50332544 (CHEMBL1630719 | N-(4-(4-(5-isopropoxy-5,6-dihydrop...) Show SMILES CC(C)OC1CN=C(Oc2ccc(CCC(C)NC(C)=O)cc2)C=N1 |c:24,t:6| Show InChI InChI=1S/C19H27N3O3/c1-13(2)24-18-11-21-19(12-20-18)25-17-9-7-16(8-10-17)6-5-14(3)22-15(4)23/h7-10,12-14,18H,5-6,11H2,1-4H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged rat recombinant ACC1 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50332544 (CHEMBL1630719 | N-(4-(4-(5-isopropoxy-5,6-dihydrop...) Show SMILES CC(C)OC1CN=C(Oc2ccc(CCC(C)NC(C)=O)cc2)C=N1 |c:24,t:6| Show InChI InChI=1S/C19H27N3O3/c1-13(2)24-18-11-21-19(12-20-18)25-17-9-7-16(8-10-17)6-5-14(3)22-15(4)23/h7-10,12-14,18H,5-6,11H2,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC2 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50332544 (CHEMBL1630719 | N-(4-(4-(5-isopropoxy-5,6-dihydrop...) Show SMILES CC(C)OC1CN=C(Oc2ccc(CCC(C)NC(C)=O)cc2)C=N1 |c:24,t:6| Show InChI InChI=1S/C19H27N3O3/c1-13(2)24-18-11-21-19(12-20-18)25-17-9-7-16(8-10-17)6-5-14(3)22-15(4)23/h7-10,12-14,18H,5-6,11H2,1-4H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant ACC1 expressed in high five insect cells by ATP consumption assay				J Med Chem 53: 8679-87 (2010) Article DOI: 10.1021/jm101179e BindingDB Entry DOI: 10.7270/Q28K79BT
					More data for this Ligand-Target Pair