BDBM50066617 2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazol-1-yl-phenoxy)-isonicotinic acid::CHEMBL310373

SMILES: NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1

InChI Key: InChIKey=KUPOJJBTUCGDJK-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50066617   

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))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	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	26	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))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	26	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
Coagulation factor X (Homo sapiens (Human))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	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	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory potency was measured against human coagulation factor X				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	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
Trypsin (Bos taurus (bovine))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory potency was measured against bovine trypsin.				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.40E+3	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
Prothrombin (Homo sapiens (Human))	BDBM50066617 (2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-(3-imidazo...) Show SMILES NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)-n3ccnc3)n2)C(O)=O)c1 Show InChI InChI=1S/C22H17N5O5/c23-21(24)13-4-5-17(28)18(8-13)32-20-10-14(22(29)30)9-19(26-20)31-16-3-1-2-15(11-16)27-7-6-25-12-27/h1-12,28H,(H3,23,24)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibitory potency was measured against human thrombin				J Med Chem 41: 3557-62 (1998) Article DOI: 10.1021/jm980280h BindingDB Entry DOI: 10.7270/Q2KS6QPR
					More data for this Ligand-Target Pair