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BDBM22891 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide::Famotidine::MK 208::Pepcid::YM 11170::cid_5702160

SMILES: [#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1

InChI Key: InChIKey=XUFQPHANEAPEMJ-UHFFFAOYSA-N

Data: 2 KI  3 EC50

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 5 hits for monomerid = 22891   
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
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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PubMed
12n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)

More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam



Assay Description
Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...


J Pharmacol Exp Ther 314: 1310-21 (2005)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens)
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
PDB
MMDB

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PCBioAssay
n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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UniProtKB/SwissProt

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PCBioAssay
n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens)
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair