BDBM97610 CHEMBL1630715::US8470841, 35

SMILES: CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1

InChI Key: InChIKey=CHLNWUAMDPEDES-HNNXBMFYSA-N

Data: 7 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 7 hits for monomerid = 97610   

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 (ACC2) (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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 1 (ACC1) (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	190	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 1 (ACC1) (Rattus norvegicus (Rat))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	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 (ACC2) (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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) (Rattus norvegicus (Rat))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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 1 (ACC1) (Homo sapiens (Human))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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 2 (ACC2) (Rattus norvegicus (Rat))	BDBM97610 (CHEMBL1630715 | US8470841, 35) Show SMILES CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r| Show InChI InChI=1S/C20H26N2O3/c1-14(2)24-20-12-11-19(13-21-20)25-18-9-7-17(8-10-18)6-5-15(3)22-16(4)23/h7-15H,5-6H2,1-4H3,(H,22,23)/t15-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	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