BDBM50504398 CHEMBL455441

SMILES: [H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC

InChI Key: InChIKey=LBYSMOKWYNTVFB-RHSMJXSCSA-N

Data: 1 KI  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 2 hits for monomerid = 50504398   

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))	BDBM50504398 (CHEMBL455441) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r| Show InChI InChI=1S/C22H34O3/c1-5-25-18(24)21(4)10-6-9-20(3)15(21)8-12-22-13-17(23)19(2,14-22)11-7-16(20)22/h15-16H,5-14H2,1-4H3/t15-,16-,19-,20+,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human activated Factor X using S-2765 as substrate incubated for 15 mins followed by substrate addition and measured after 1 hr by chro...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111722
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50504398 (CHEMBL455441) Show SMILES [H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(=O)OCC |r| Show InChI InChI=1S/C22H34O3/c1-5-25-18(24)21(4)10-6-9-20(3)15(21)8-12-22-13-17(23)19(2,14-22)11-7-16(20)22/h15-16H,5-14H2,1-4H3/t15-,16-,19-,20+,21+,22-/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	786	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