BDBM50126574 CHEMBL35813::N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[3-(4-carbamimidoyl-3-fluoro-phenyl)-ureido]-acetamide

SMILES: C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(F)c1)c1cccc(Br)c1

InChI Key: InChIKey=CVCMDSPOHSKOKC-JTQLQIEISA-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 = 50126574   

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 VII (Homo sapiens (Human))	BDBM50126574 (CHEMBL35813 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...) Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(F)c1)c1cccc(Br)c1 Show InChI InChI=1S/C18H19BrFN5O2/c1-10(11-3-2-4-12(19)7-11)24-16(26)9-23-18(27)25-13-5-6-14(17(21)22)15(20)8-13/h2-8,10H,9H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description In vitro inhibitory activity against coagulation factor VII (fVIIa)				Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B
					More data for this Ligand-Target Pair