BDBM50537808 CHEMBL4638079

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

InChI Key: InChIKey=RKUMWWJFKJZSOK-LSJRJXGESA-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 = 50537808   

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))	BDBM50537808 (CHEMBL4638079) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(C[C@H]3OCc1cn(nn1)-c1ccc(Cl)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/C31H42ClN3O3/c1-5-37-27(36)30(4)14-6-13-29(3)24(30)12-16-31-17-26(28(2,20-31)15-11-25(29)31)38-19-22-18-35(34-33-22)23-9-7-21(32)8-10-23/h7-10,18,24-26H,5-6,11-17,19-20H2,1-4H3/t24-,25-,26+,28-,29+,30+,31-/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	2.73E+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)
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