BDBM50191351 CHEMBL3909009

SMILES: [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3cc(F)c4c(cc[nH]c4=N)c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1

InChI Key: InChIKey=DVTJAXWYFLZLAI-WWOZWPLTSA-N

Data: 2 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 2 hits for monomerid = 50191351   

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))	BDBM50191351 (CHEMBL3909009) Show SMILES [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3cc(F)c4c(cc[nH]c4=N)c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34FN5O5S/c1-18-12-21-4-8-26(18)19(2)17-44-33(41)38-23-5-9-28(45(42,43)25-6-7-25)22(14-23)16-39(3)32(40)30(21)37-24-13-20-10-11-36-31(35)29(20)27(34)15-24/h4-5,8-15,19,25,30,37H,6-7,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair
Kallikrein 1 (Homo sapiens (Human))	BDBM50191351 (CHEMBL3909009) Show SMILES [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3cc(F)c4c(cc[nH]c4=N)c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H34FN5O5S/c1-18-12-21-4-8-26(18)19(2)17-44-33(41)38-23-5-9-28(45(42,43)25-6-7-25)22(14-23)16-39(3)32(40)30(21)37-24-13-20-10-11-36-31(35)29(20)27(34)15-24/h4-5,8-15,19,25,30,37H,6-7,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human HK1 using H-D-Val-Leu-Arg-AFC as substrate assessed as release of AFC after 10 to 120 mins by spectrofluorimetric method				J Med Chem 59: 7125-37 (2016) BindingDB Entry DOI: 10.7270/Q2TM7D37
					More data for this Ligand-Target Pair