BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1

InChI Key: InChIKey=HMAHWLRTAIIUQX-UHFFFAOYSA-N

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 = 51549   
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
Kallikrein-7


(Homo sapiens (Human))
BDBM51549
PNG
(5-bromanyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-met...)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1
Show InChI InChI=1S/C18H13BrN4O2/c1-11-3-4-12(14-10-23-8-2-7-20-18(23)22-14)9-13(11)21-17(24)15-5-6-16(19)25-15/h2-10H,1H3,(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase


(Mycobacterium tuberculosis H37Rv)
BDBM51549
PNG
(5-bromanyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-met...)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1
Show InChI InChI=1S/C18H13BrN4O2/c1-11-3-4-12(14-10-23-8-2-7-20-18(23)22-14)9-13(11)21-17(24)15-5-6-16(19)25-15/h2-10H,1H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.69E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TD9VRT
More data for this
Ligand-Target Pair