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SMILES: Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)NCCc1c[nH]c2ccccc12)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CXHJLXMDNOSDLX-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 = 113975   
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
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM113975
PNG
(2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-[3-...)
Show SMILES Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)NCCc1c[nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N4O2/c30-29(31,32)20-10-6-9-18(15-20)23-24(27(33)36-25(23)26(37)17-7-2-1-3-8-17)28(38)34-14-13-19-16-35-22-12-5-4-11-21(19)22/h1-12,15-16,35-36H,13-14,33H2,(H,34,38)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.73E+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) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM113975
PNG
(2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-[3-...)
Show SMILES Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)NCCc1c[nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N4O2/c30-29(31,32)20-10-6-9-18(15-20)23-24(27(33)36-25(23)26(37)17-7-2-1-3-8-17)28(38)34-14-13-19-16-35-22-12-5-4-11-21(19)22/h1-12,15-16,35-36H,13-14,33H2,(H,34,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.96E+4n/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) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair