BDBM50355934 CHEMBL1910404

SMILES: CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1

InChI Key: InChIKey=DSUNZEZCXUMUEH-MHZLTWQESA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50355934   

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))	BDBM50355934 (CHEMBL1910404) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1				Bioorg Med Chem Lett 21: 6314-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50355934 (CHEMBL1910404) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 3643-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.047 BindingDB Entry DOI: 10.7270/Q2VM4D8N
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50355934 (CHEMBL1910404) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 3643-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.047 BindingDB Entry DOI: 10.7270/Q2VM4D8N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50355934 (CHEMBL1910404) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r| Show InChI InChI=1S/C27H36N4O4S/c1-4-28-25(34)29-22-21(19-8-5-6-9-20(19)36-22)23(32)30-14-10-18(11-15-30)31-13-7-12-27(17-31)16-26(2,3)35-24(27)33/h5-6,8-9,18H,4,7,10-17H2,1-3H3,(H2,28,29,34)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2				Bioorg Med Chem Lett 21: 6314-8 (2011) Article DOI: 10.1016/j.bmcl.2011.08.117 BindingDB Entry DOI: 10.7270/Q2P84C9P
					More data for this Ligand-Target Pair				3D Structure (crystal)