BDBM50537833 CHEMBL4642692

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccc(cc1)C(F)(F)F)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=RMUDSFUUFUIAHE-MDNDDLBBSA-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 = 50537833   

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))	BDBM50537833 (CHEMBL4642692) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N/NC(=S)Nc1ccc(cc1)C(F)(F)F)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:1.3.2:6| Show InChI InChI=1S/C30H40F3N3O2S/c1-5-38-24(37)28(4)14-6-13-27(3)21(28)12-16-29-17-23(26(2,18-29)15-11-22(27)29)35-36-25(39)34-20-9-7-19(8-10-20)30(31,32)33/h7-10,21-22H,5-6,11-18H2,1-4H3,(H2,34,36,39)/b35-23+/t21-,22-,26-,27+,28+,29-/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	8.66E+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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