BDBM50097767 3-Carbamimidoyl-N-((R)-phenethylcarbamoyl-phenyl-methyl)-benzamide::CHEMBL162316

SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCc1ccccc1)c1ccccc1

InChI Key: InChIKey=JXOFUTQSALVIIG-OAQYLSRUSA-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 = 50097767   

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))	BDBM50097767 (3-Carbamimidoyl-N-((R)-phenethylcarbamoyl-phenyl-m...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-22(26)19-12-7-13-20(16-19)23(29)28-21(18-10-5-2-6-11-18)24(30)27-15-14-17-8-3-1-4-9-17/h1-13,16,21H,14-15H2,(H3,25,26)(H,27,30)(H,28,29)/t21-/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	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human coagulation factor Xa				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50097767 (3-Carbamimidoyl-N-((R)-phenethylcarbamoyl-phenyl-m...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-22(26)19-12-7-13-20(16-19)23(29)28-21(18-10-5-2-6-11-18)24(30)27-15-14-17-8-3-1-4-9-17/h1-13,16,21H,14-15H2,(H3,25,26)(H,27,30)(H,28,29)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Affinity for human thrombin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50097767 (3-Carbamimidoyl-N-((R)-phenethylcarbamoyl-phenyl-m...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H24N4O2/c25-22(26)19-12-7-13-20(16-19)23(29)28-21(18-10-5-2-6-11-18)24(30)27-15-14-17-8-3-1-4-9-17/h1-13,16,21H,14-15H2,(H3,25,26)(H,27,30)(H,28,29)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human trypsin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair