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BDBM86873 CAS_3448811::N-(5-(4-bromobenzylthio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide::NSC_3448811

SMILES: Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1

InChI Key: InChIKey=ROHHUXKBFOQTFE-UHFFFAOYSA-N

Data: 2 KI

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 = 86873   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM86873
PNG
(CAS_3448811 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrClN3OS2/c17-11-7-5-10(6-8-11)9-23-16-21-20-15(24-16)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
225n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM86873
PNG
(CAS_3448811 | N-(5-(4-bromobenzylthio)-1,3,4-thiad...)
Show SMILES Clc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1
Show InChI InChI=1S/C16H11BrClN3OS2/c17-11-7-5-10(6-8-11)9-23-16-21-20-15(24-16)19-14(22)12-3-1-2-4-13(12)18/h1-8H,9H2,(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
522n/an/an/an/an/an/an/an/a



Universit&aagrov; degli Studi di Siena

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 1207-11 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.112
BindingDB Entry DOI: 10.7270/Q23R0RF2
More data for this
Ligand-Target Pair