BDBM50537842 CHEMBL4648774

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccccc1C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=ZTHJVUBSPXQUIF-FIHZECKFSA-N

Data: 1 IC50

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 1 hit for monomerid = 50537842   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50537842 (CHEMBL4648774) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccccc1C)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.3.2:6| Show InChI InChI=1S/C30H43N3O2S/c1-6-35-25(34)29(5)15-9-14-28(4)22(29)13-17-30-18-24(27(3,19-30)16-12-23(28)30)32-33-26(36)31-21-11-8-7-10-20(21)2/h7-8,10-11,22-23H,6,9,12-19H2,1-5H3,(H2,31,33,36)/b32-24+/t22-,23-,27-,28+,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				Bioorg Med Chem Lett 30: (2020)
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