BDBM50205846 CHEMBL3917539

SMILES: COc1cc2CCC(=O)Nc3ccc(c(CN(C)C(=O)[C@H](Nc4ccc5c(N)ncc(F)c5c4)c(c2)c1)c3)S(=O)(=O)C1CC1

InChI Key: InChIKey=ONXJTABQIRFNGV-SSEXGKCCSA-N

Data: 1 KI

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 = 50205846   

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 III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50205846 (CHEMBL3917539) Show SMILES COc1cc2CCC(=O)Nc3ccc(c(CN(C)C(=O)[C@H](Nc4ccc5c(N)ncc(F)c5c4)c(c2)c1)c3)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C32H32FN5O5S/c1-38-17-20-13-21(5-9-28(20)44(41,42)24-6-7-24)36-29(39)10-3-18-11-19(14-23(12-18)43-2)30(32(38)40)37-22-4-8-25-26(15-22)27(33)16-35-31(25)34/h4-5,8-9,11-16,24,30,37H,3,6-7,10,17H2,1-2H3,(H2,34,35)(H,36,39)/t30-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC				ACS Med Chem Lett 8: 67-72 (2017) Article DOI: 10.1021/acsmedchemlett.6b00375 BindingDB Entry DOI: 10.7270/Q20P120Q
					More data for this Ligand-Target Pair