BDBM50537840 CHEMBL4639910

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1cccc3ccccc13)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=VMESZRRZMYZECP-PTBIOGKESA-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 = 50537840   

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))	BDBM50537840 (CHEMBL4639910) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1cccc3ccccc13)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.3.2:6| Show InChI InChI=1S/C33H43N3O2S/c1-5-38-28(37)32(4)17-9-16-31(3)25(32)15-19-33-20-27(30(2,21-33)18-14-26(31)33)35-36-29(39)34-24-13-8-11-22-10-6-7-12-23(22)24/h6-8,10-13,25-26H,5,9,14-21H2,1-4H3,(H2,34,36,39)/b35-27+/t25-,26-,30-,31+,32+,33-/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	955	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)
					More data for this Ligand-Target Pair