BindingDB logo
myBDB logout

BDBM307535 2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2-yl)cyclopropyl)carbamoyl)phenyl)-N-methyl-6-(2,2,2-trifluoroethoxy)benzofuran-3-carboxamide::US10150747, Example 2

SMILES: CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1

InChI Key: InChIKey=LSAIGNJMTZDTPD-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 307535   
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
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307535
PNG
(2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F4N4O5/c1-38-30(43)27-22-15-21(25(45-17-33(35,36)37)16-26(22)46-28(27)18-4-7-20(34)8-5-18)19-6-9-24(44-2)23(14-19)29(42)41-32(10-11-32)31-39-12-3-13-40-31/h3-9,12-16H,10-11,17H2,1-2H3,(H,38,43)(H,41,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.24n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
RNA polymerase (NS5B)


(Hepatitis C virus (HCV))
BDBM307535
PNG
(2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F4N4O5/c1-38-30(43)27-22-15-21(25(45-17-33(35,36)37)16-26(22)46-28(27)18-4-7-20(34)8-5-18)19-6-9-24(44-2)23(14-19)29(42)41-32(10-11-32)31-39-12-3-13-40-31/h3-9,12-16H,10-11,17H2,1-2H3,(H,38,43)(H,41,42)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.15n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...


US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair