BDBM50383755 CHEMBL2030567

SMILES: CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(CC)C2=O)C1

InChI Key: InChIKey=VMBUAYWUULGJMP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50383755   

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))	BDBM50383755 (CHEMBL2030567) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(CC)C2=O)C1 Show InChI InChI=1S/C27H37N5O3S/c1-3-28-26(35)29-23-22(20-8-5-6-9-21(20)36-23)24(33)31-15-10-19(11-16-31)32-14-7-12-27(18-32)13-17-30(4-2)25(27)34/h5-6,8-9,19H,3-4,7,10-18H2,1-2H3,(H2,28,29,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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))	BDBM50383755 (CHEMBL2030567) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(CC)C2=O)C1 Show InChI InChI=1S/C27H37N5O3S/c1-3-28-26(35)29-23-22(20-8-5-6-9-21(20)36-23)24(33)31-15-10-19(11-16-31)32-14-7-12-27(18-32)13-17-30(4-2)25(27)34/h5-6,8-9,19H,3-4,7,10-18H2,1-2H3,(H2,28,29,35)	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	33	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