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BDBM50537836 CHEMBL4645081

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1cccc(OC)c1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=YHSRDNMYLKCBOI-FIHZECKFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537836   
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
Coagulation factor X


(Homo sapiens (Human))		BDBM50537836
PNG
(CHEMBL4645081)
Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1cccc(OC)c1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.3.2:6|
Show InChI InChI=1S/C30H43N3O3S/c1-6-36-25(34)29(4)14-8-13-28(3)22(29)12-16-30-18-24(27(2,19-30)15-11-23(28)30)32-33-26(37)31-20-9-7-10-21(17-20)35-5/h7,9-10,17,22-23H,6,8,11-16,18-19H2,1-5H3,(H2,31,33,37)/b32-24+/t22-,23-,27-,28+,29+,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 1.84E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of factor 10a (unknown origin)

Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair