BDBM50526348 CHEMBL4455162

SMILES: [H][C@@]12CC[C@]3(C)[C@@H](CO)O[C@@]1(CC[C@]1([H])[C@](C)(CO)C[C@@H](O)C[C@@]21C)[C@@H]3Br

InChI Key: InChIKey=WRURFJGZRRTEDE-CLKLCHJVSA-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 = 50526348   

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))	BDBM50526348 (CHEMBL4455162) Show SMILES [H][C@@]12CC[C@]3(C)[C@@H](CO)O[C@@]1(CC[C@]1([H])[C@](C)(CO)C[C@@H](O)C[C@@]21C)[C@@H]3Br |r,THB:7:6:1.3.2:25| Show InChI InChI=1S/C20H33BrO4/c1-17(11-23)8-12(24)9-19(3)13(17)5-7-20-14(19)4-6-18(2,16(20)21)15(10-22)25-20/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14+,15-,16-,17+,18-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human factor Xa using Z-D-Arg-Gly-Arg-pNA.2HCl as substrate preincubated for 15 mins followed by substrate addition by UV absorption an...				Bioorg Med Chem 27: 1320-1326 (2019) Article DOI: 10.1016/j.bmc.2019.02.032
					More data for this Ligand-Target Pair