BDBM50148950 CHEMBL332753::N-[1-(3-Bromo-4-morpholin-4-yl-phenyl)-ethyl]-2-[3-(4-carbamimidoyl-phenyl)-ureido]-acetamide

SMILES: CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(N2CCOCC2)c(Br)c1

InChI Key: InChIKey=VXRQFLJISBWBKS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50148950   

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))	BDBM50148950 (CHEMBL332753 | N-[1-(3-Bromo-4-morpholin-4-yl-phen...) Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C22H27BrN6O3/c1-14(16-4-7-19(18(23)12-16)29-8-10-32-11-9-29)27-20(30)13-26-22(31)28-17-5-2-15(3-6-17)21(24)25/h2-7,12,14H,8-11,13H2,1H3,(H3,24,25)(H,27,30)(H2,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 inhibition of human coagulation factor VIIa				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50148950 (CHEMBL332753 | N-[1-(3-Bromo-4-morpholin-4-yl-phen...) Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C22H27BrN6O3/c1-14(16-4-7-19(18(23)12-16)29-8-10-32-11-9-29)27-20(30)13-26-22(31)28-17-5-2-15(3-6-17)21(24)25/h2-7,12,14H,8-11,13H2,1H3,(H3,24,25)(H,27,30)(H2,26,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	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 inhibition of thrombin				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50148950 (CHEMBL332753 | N-[1-(3-Bromo-4-morpholin-4-yl-phen...) Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C22H27BrN6O3/c1-14(16-4-7-19(18(23)12-16)29-8-10-32-11-9-29)27-20(30)13-26-22(31)28-17-5-2-15(3-6-17)21(24)25/h2-7,12,14H,8-11,13H2,1H3,(H3,24,25)(H,27,30)(H2,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 inhibition of coagulation factor X				Bioorg Med Chem Lett 14: 3715-20 (2004) Article DOI: 10.1016/j.bmcl.2004.05.006 BindingDB Entry DOI: 10.7270/Q2PG1R6T
					More data for this Ligand-Target Pair