BDBM50114532 (R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-carbamimidoyl-phenyl)-propionic acid methyl ester::CHEMBL297371

SMILES: COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N

InChI Key: InChIKey=KSIJTKXNOBKZFG-JOCHJYFZSA-N

Data: 4 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 4 hits for monomerid = 50114532   

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))	BDBM50114532 ((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...) Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/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	20	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 activity against human Coagulation factor Xa				Bioorg Med Chem Lett 12: 1667-70 (2002) BindingDB Entry DOI: 10.7270/Q2GM86MR
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50114532 ((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...) Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin)				J Med Chem 56: 2016-28 (2013) Article DOI: 10.1021/jm3016816 BindingDB Entry DOI: 10.7270/Q25140J6
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50114532 ((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...) Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	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 activity against human trypsin				Bioorg Med Chem Lett 12: 1667-70 (2002) BindingDB Entry DOI: 10.7270/Q2GM86MR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50114532 ((R)-2-{[(Biphenyl-4-carbonyl)-amino]-methyl}-3-(3-...) Show SMILES COC(=O)[C@@H](CNC(=O)c1ccc(cc1)-c1ccccc1)Cc1cccc(c1)C(N)=N Show InChI InChI=1S/C25H25N3O3/c1-31-25(30)22(15-17-6-5-9-21(14-17)23(26)27)16-28-24(29)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14,22H,15-16H2,1H3,(H3,26,27)(H,28,29)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.95E+3	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 activity against human Coagulation factor IIa				Bioorg Med Chem Lett 12: 1667-70 (2002) BindingDB Entry DOI: 10.7270/Q2GM86MR
					More data for this Ligand-Target Pair