BDBM50126570 2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethyl]-acetamide::CHEMBL33705

SMILES: C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1

InChI Key: InChIKey=KRBWJELIPUIYSF-LBPRGKRZSA-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 = 50126570   

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))	BDBM50126570 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...) Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1 Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	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
Coagulation factor X (Homo sapiens (Human))	BDBM50126570 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...) Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1 Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 inhibitory activity against zymogen coagulation factor (fXa)				Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50126570 (2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...) Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1 Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+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 inhibitory activity against thrombin				Bioorg Med Chem Lett 13: 1463-7 (2003) BindingDB Entry DOI: 10.7270/Q2Q52P1B
					More data for this Ligand-Target Pair