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BDBM83216 3-amino-4-(4-chlorophenyl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carbonitrile::3-amino-4-(4-chlorophenyl)-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarbonitrile::3-amino-4-(4-chlorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carbonitrile::3-azanyl-4-(4-chlorophenyl)-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-carbonitrile::MLS000324481::SMR000160398::cid_1005239

SMILES: Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1cccs1)C#N

InChI Key: InChIKey=NXPLOWTYCPHLMP-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 = 83216   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83216
PNG
(3-amino-4-(4-chlorophenyl)-6-(2-thienyl)thieno[2,3...)
Show SMILES Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1cccs1)C#N
Show InChI InChI=1S/C18H10ClN3S2/c19-11-5-3-10(4-6-11)12-8-13(14-2-1-7-23-14)22-18-16(12)17(21)15(9-20)24-18/h1-8H,21H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83216
PNG
(3-amino-4-(4-chlorophenyl)-6-(2-thienyl)thieno[2,3...)
Show SMILES Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1cccs1)C#N
Show InChI InChI=1S/C18H10ClN3S2/c19-11-5-3-10(4-6-11)12-8-13(14-2-1-7-23-14)22-18-16(12)17(21)15(9-20)24-18/h1-8H,21H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair