BindingDB logo
myBDB logout

BDBM269304 (R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-2-(2-fluoro-4-(quinolin-7-yl)phenyl)-4,4-dimethyl-1H-imidazol-5(4H)-one ::US9718813, Compound 49

SMILES: CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cccnc2c1

InChI Key: InChIKey=VBTHWGJFPDQAPR-GOSISDBHSA-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 = 269304   
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
1,5-anhydro-D-fructose reductase


(Homo sapiens (human))
BDBM269304
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-11-13-33(16-18)27(35)20-6-7-20)26(32-29)23-10-9-21(14-24(23)30)22-8-5-19-4-3-12-31-25(19)15-22/h3-5,8-10,12,14-15,18,20H,6-7,11,13,16-17H2,1-2H3/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 63.1n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair
Fatty acid synthase


(Homo sapiens (Human))
BDBM269304
PNG
((R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)me...)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H29FN4O2/c1-29(2)28(36)34(17-18-11-13-33(16-18)27(35)20-6-7-20)26(32-29)23-10-9-21(14-24(23)30)22-8-5-19-4-3-12-31-25(19)15-22/h3-5,8-10,12,14-15,18,20H,6-7,11,13,16-17H2,1-2H3/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 45.7n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
In this assay, inhibition of FASN activity is measured using 3H-acetyl-CoA and malonyl-CoA as substrates. 3H-Acetyl CoA is converted to 3H-palmitate ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair