BDBM50084676 (2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PENTANOIC ACID::2-(3'-Carbamimidoyl-biphenyl-3-yl)-5-(pyridin-4-ylamino)-pentanoic acid::2-(3'-Carbamimidoyl-biphenyl-3-yl)-5-(pyridin-4-ylamino)-pentanoic acid(FX-2212)::CHEMBL105532

SMILES: NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O

InChI Key: InChIKey=FJEAIYBDDQAFGU-NRFANRHFSA-N

Data: 3 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50084676   

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))	BDBM50084676 ((2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PEN...) Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O Show InChI InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory concentration against Coagulation factor X				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50084676 ((2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PEN...) Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O Show InChI InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory activity against human Coagulation factor Xa				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50084676 ((2S)-(3'-AMIDINO-3-BIPHENYL)-5-(4-PYRIDYLAMINO)PEN...) Show SMILES NC(=N)c1cccc(c1)-c1cccc(c1)[C@H](CCCNc1ccncc1)C(O)=O Show InChI InChI=1S/C23H24N4O2/c24-22(25)19-7-2-5-17(15-19)16-4-1-6-18(14-16)21(23(28)29)8-3-11-27-20-9-12-26-13-10-20/h1-2,4-7,9-10,12-15,21H,3,8,11H2,(H3,24,25)(H,26,27)(H,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma KG Curated by ChEMBL					Assay Description Inhibitory activity against human thrombin				J Med Chem 43: 3033-44 (2000) BindingDB Entry DOI: 10.7270/Q20R9Q3N
					More data for this Ligand-Target Pair