BDBM50537813 CHEMBL4641891

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(C[C@H]3OCc1cn(Cc3ccccc3)nn1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=ZUIWTHQMIOPQEQ-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 = 50537813   

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))	BDBM50537813 (CHEMBL4641891) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C[C@H]3OCc1cn(Cc3ccccc3)nn1)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r,THB:10:9:6:1.3.2| Show InChI InChI=1S/C32H45N3O3/c1-5-37-28(36)31(4)15-9-14-30(3)25(31)13-17-32-18-27(29(2,22-32)16-12-26(30)32)38-21-24-20-35(34-33-24)19-23-10-7-6-8-11-23/h6-8,10-11,20,25-27H,5,9,12-19,21-22H2,1-4H3/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	2.94E+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