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BDBM50383743 CHEMBL2030578

SMILES: CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(C(C)C)C2=O

InChI Key: InChIKey=AKUXSTUUYYHYFK-UHFFFAOYNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50383743   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM50383743
PNG
(CHEMBL2030578)
Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(C(C)C)C2=O
Show InChI InChI=1/C27H37N7O4S/c1-5-28-25(37)30-22-20(19-8-7-17(4)29-21(19)39-22)23(35)32-13-9-18(10-14-32)33-12-6-11-27(15-33)24(36)34(16(2)3)26(38)31-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H,31,38)(H2,28,30,37)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Co., 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
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (Human))
BDBM50383743
PNG
(CHEMBL2030578)
Show SMILES CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(C(C)C)C2=O
Show InChI InChI=1/C27H37N7O4S/c1-5-28-25(37)30-22-20(19-8-7-17(4)29-21(19)39-22)23(35)32-13-9-18(10-14-32)33-12-6-11-27(15-33)24(36)34(16(2)3)26(38)31-27/h7-8,16,18H,5-6,9-15H2,1-4H3,(H,31,38)(H2,28,30,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Co., 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