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BDBM269297 (R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-4,4-dimethyl-2-(4-(quinazolin-7-yl)phenyl)-1H-imidazol-5(4H)-one ::US9718813, Compound 42

SMILES: CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cncnc2c1

InChI Key: InChIKey=UGLQJUBYFKNJNY-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 = 269297   
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))
BDBM269297
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(cc1)-c1ccc2cncnc2c1
Show InChI InChI=1S/C28H29N5O2/c1-28(2)27(35)33(16-18-11-12-32(15-18)26(34)21-7-8-21)25(31-28)20-5-3-19(4-6-20)22-9-10-23-14-29-17-30-24(23)13-22/h3-6,9-10,13-14,17-18,21H,7-8,11-12,15-16H2,1-2H3/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 479n/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))
BDBM269297
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(cc1)-c1ccc2cncnc2c1
Show InChI InChI=1S/C28H29N5O2/c1-28(2)27(35)33(16-18-11-12-32(15-18)26(34)21-7-8-21)25(31-28)20-5-3-19(4-6-20)22-9-10-23-14-29-17-30-24(23)13-22/h3-6,9-10,13-14,17-18,21H,7-8,11-12,15-16H2,1-2H3/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 224n/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