BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(cc1)-n1c(n[nH]c1=S)C1CC1c1ccc(Cl)cc1

InChI Key: InChIKey=RHXMARFAJZENTK-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 3 hits for monomerid = 95903   
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
Tumor necrosis factor receptor superfamily member 10B


(Homo sapiens (Human))
BDBM95903
PNG
(3-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)C1CC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3S/c1-11-2-8-14(9-3-11)22-17(20-21-18(22)23)16-10-15(16)12-4-6-13(19)7-5-12/h2-9,15-16H,10H2,1H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM95903
PNG
(3-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)C1CC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3S/c1-11-2-8-14(9-3-11)22-17(20-21-18(22)23)16-10-15(16)12-4-6-13(19)7-5-12/h2-9,15-16H,10H2,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+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/Q21J98DJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))
BDBM95903
PNG
(3-[2-(4-chlorophenyl)cyclopropyl]-4-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)-n1c(n[nH]c1=S)C1CC1c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3S/c1-11-2-8-14(9-3-11)22-17(20-21-18(22)23)16-10-15(16)12-4-6-13(19)7-5-12/h2-9,15-16H,10H2,1H3,(H,21,23)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.95E+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/Q25B013C
More data for this
Ligand-Target Pair