BDBM50113909 2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(4-methyl-imidazol-1-yl)-phenoxy]-isonicotinic acid::CHEMBL79828

SMILES: Cc1cn(cn1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1

InChI Key: InChIKey=LMYRFALJJDTPPD-UHFFFAOYSA-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 = 50113909   

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))	BDBM50113909 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(4-meth...) Show SMILES Cc1cn(cn1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C23H19N5O5/c1-13-11-28(12-26-13)16-3-2-4-17(10-16)32-20-8-15(23(30)31)9-21(27-20)33-19-7-14(22(24)25)5-6-18(19)29/h2-12,29H,1H3,(H3,24,25)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X was determined				J Med Chem 46: 5691-9 (2003) Article DOI: 10.1021/jm030288d BindingDB Entry DOI: 10.7270/Q23J3CCP
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50113909 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(4-meth...) Show SMILES Cc1cn(cn1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C23H19N5O5/c1-13-11-28(12-26-13)16-3-2-4-17(10-16)32-20-8-15(23(30)31)9-21(27-20)33-19-7-14(22(24)25)5-6-18(19)29/h2-12,29H,1H3,(H3,24,25)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory constant against human coagulation factor Xa (fXa)				J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50113909 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(4-meth...) Show SMILES Cc1cn(cn1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C23H19N5O5/c1-13-11-28(12-26-13)16-3-2-4-17(10-16)32-20-8-15(23(30)31)9-21(27-20)33-19-7-14(22(24)25)5-6-18(19)29/h2-12,29H,1H3,(H3,24,25)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory constant against bovine trypsin for general specificity against serine proteases				J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50113909 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-[3-(4-meth...) Show SMILES Cc1cn(cn1)-c1cccc(Oc2cc(cc(Oc3cc(ccc3O)C(N)=N)n2)C(O)=O)c1 Show InChI InChI=1S/C23H19N5O5/c1-13-11-28(12-26-13)16-3-2-4-17(10-16)32-20-8-15(23(30)31)9-21(27-20)33-19-7-14(22(24)25)5-6-18(19)29/h2-12,29H,1H3,(H3,24,25)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory constant against human coagulation factor II (thrombin) for selectivity within coagulation cascade				J Med Chem 45: 2484-93 (2002) BindingDB Entry DOI: 10.7270/Q24J0FTH
					More data for this Ligand-Target Pair