new BindingDB logo
myBDB logout

BDBM50099925 4-(4-Cyclohexyl-thiazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxamidine::CHEMBL283859

SMILES: CSc1sc(cc1-c1nc(cs1)C1CCCCC1)C(N)=N

InChI Key: InChIKey=GFTDFOYLMGQHFH-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 = 50099925   
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))
BDBM50099925
PNG
(4-(4-Cyclohexyl-thiazol-2-yl)-5-methylsulfanyl-thi...)
Show SMILES CSc1sc(cc1-c1nc(cs1)C1CCCCC1)C(N)=N
Show InChI InChI=1S/C15H19N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H3,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
4.70E+3n/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))
BDBM50099925
PNG
(4-(4-Cyclohexyl-thiazol-2-yl)-5-methylsulfanyl-thi...)
Show SMILES CSc1sc(cc1-c1nc(cs1)C1CCCCC1)C(N)=N
Show InChI InChI=1S/C15H19N3S3/c1-19-15-10(7-12(21-15)13(16)17)14-18-11(8-20-14)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H3,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PubMed
6.41E+5n/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