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BDBM50099899 4-(4-Biphenyl-4-yl-thiazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxamidine::CHEMBL418023

SMILES: CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(N)=N

InChI Key: InChIKey=YJSXRDXBOOLGGT-UHFFFAOYSA-N

Data: 2 KI

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50099899   
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
Complement C1s


(Homo sapiens (Human))
BDBM50099899
PNG
(4-(4-Biphenyl-4-yl-thiazol-2-yl)-5-methylsulfanyl-...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C21H17N3S3/c1-25-21-16(11-18(27-21)19(22)23)20-24-17(12-26-20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H3,22,23)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.54E+4n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human Complement C1s subcomponent


Bioorg Med Chem Lett 14: 3043-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.034
BindingDB Entry DOI: 10.7270/Q2K35T33
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50099899
PNG
(4-(4-Biphenyl-4-yl-thiazol-2-yl)-5-methylsulfanyl-...)
Show SMILES CSc1sc(cc1-c1nc(cs1)-c1ccc(cc1)-c1ccccc1)C(N)=N
Show InChI InChI=1S/C21H17N3S3/c1-25-21-16(11-18(27-21)19(22)23)20-24-17(12-26-20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3,(H3,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

PubMed
1.74E+6n/an/an/an/an/an/an/an/a



3-Dimensional Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 11: 1379-82 (2001)


BindingDB Entry DOI: 10.7270/Q24M93S1
More data for this
Ligand-Target Pair