BDBM50537815 CHEMBL4639084

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C[C@H]3OCc1cn(nn1)-c1ccc(OC)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=QBQJSLJVJJZHHJ-YARKDQTMSA-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 = 50537815   

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))	BDBM50537815 (CHEMBL4639084) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C[C@H]3OCc1cn(nn1)-c1ccc(OC)cc1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:6:1.3.2| Show InChI InChI=1S/C32H45N3O4/c1-6-38-28(36)31(4)15-7-14-30(3)25(31)13-17-32-18-27(29(2,21-32)16-12-26(30)32)39-20-22-19-35(34-33-22)23-8-10-24(37-5)11-9-23/h8-11,19,25-27H,6-7,12-18,20-21H2,1-5H3/t25-,26-,27+,29-,30+,31+,32-/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	1.93E+4	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