BDBM50114546 (2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidazol-2-yl)-benzoylamino]-butyric acid methyl ester::CHEMBL45298

SMILES: COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ncc[nH]1

InChI Key: InChIKey=DUWBZGDVHHHCQM-AUUYWEPGSA-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 = 50114546   

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 X (Homo sapiens (Human))	BDBM50114546 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C23H25N5O3/c1-14(19(23(30)31-2)13-15-4-3-5-18(12-15)20(24)25)28-22(29)17-8-6-16(7-9-17)21-26-10-11-27-21/h3-12,14,19H,13H2,1-2H3,(H3,24,25)(H,26,27)(H,28,29)/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inibition of Coagulation factor Xa				Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50114546 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C23H25N5O3/c1-14(19(23(30)31-2)13-15-4-3-5-18(12-15)20(24)25)28-22(29)17-8-6-16(7-9-17)21-26-10-11-27-21/h3-12,14,19H,13H2,1-2H3,(H3,24,25)(H,26,27)(H,28,29)/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory potency against Trypsin				Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50114546 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...) Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C23H25N5O3/c1-14(19(23(30)31-2)13-15-4-3-5-18(12-15)20(24)25)28-22(29)17-8-6-16(7-9-17)21-26-10-11-27-21/h3-12,14,19H,13H2,1-2H3,(H3,24,25)(H,26,27)(H,28,29)/t14-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Coagulation factor IIa				Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG
					More data for this Ligand-Target Pair