null

SMILES: CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1

InChI Key: InChIKey=ZLKMOUBQZRCJNB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50332553   

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 2 [151-2458] (Homo sapiens (Human))	BDBM50332553 (CHEMBL1630707 | N-(3-(4-(5-(cyclopentyloxy)pyridin...) Show SMILES CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 Show InChI InChI=1S/C21H26N2O3/c1-16(24)22-14-4-5-17-8-10-19(11-9-17)26-21-13-12-20(15-23-21)25-18-6-2-3-7-18/h8-13,15,18H,2-7,14H2,1H3,(H,22,24)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	7.5	37
Sanofi US Patent					Assay Description the enzymatic activity of ACC and its inhibition by test substances were determined by a luminometric assay.				US Patent US8470841 (2013) BindingDB Entry DOI: 10.7270/Q2183537
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50332553 (CHEMBL1630707 | N-(3-(4-(5-(cyclopentyloxy)pyridin...) Show SMILES CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 Show InChI InChI=1S/C21H26N2O3/c1-16(24)22-14-4-5-17-8-10-19(11-9-17)26-21-13-12-20(15-23-21)25-18-6-2-3-7-18/h8-13,15,18H,2-7,14H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+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 (Homo sapiens (Human))	BDBM50332553 (CHEMBL1630707 | N-(3-(4-(5-(cyclopentyloxy)pyridin...) Show SMILES CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 Show InChI InChI=1S/C21H26N2O3/c1-16(24)22-14-4-5-17-8-10-19(11-9-17)26-21-13-12-20(15-23-21)25-18-6-2-3-7-18/h8-13,15,18H,2-7,14H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50332553 (CHEMBL1630707 | N-(3-(4-(5-(cyclopentyloxy)pyridin...) Show SMILES CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 Show InChI InChI=1S/C21H26N2O3/c1-16(24)22-14-4-5-17-8-10-19(11-9-17)26-21-13-12-20(15-23-21)25-18-6-2-3-7-18/h8-13,15,18H,2-7,14H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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