BDBM50077178 2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid::CHEMBL46077

SMILES: NC(=N)c1cccc(Oc2ccc(C(O)=O)c(Oc3cccc(c3)C(N)=N)n2)c1

InChI Key: InChIKey=AGISMPMQZWVBJT-UHFFFAOYSA-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 = 50077178   

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))	BDBM50077178 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid |...) Show SMILES NC(=N)c1cccc(Oc2ccc(C(O)=O)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C20H17N5O4/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(20(26)27)19(25-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)	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	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against Coagulation factor X				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50077178 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid |...) Show SMILES NC(=N)c1cccc(Oc2ccc(C(O)=O)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C20H17N5O4/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(20(26)27)19(25-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against bovine trypsin.				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50077178 (2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid |...) Show SMILES NC(=N)c1cccc(Oc2ccc(C(O)=O)c(Oc3cccc(c3)C(N)=N)n2)c1 Show InChI InChI=1S/C20H17N5O4/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(20(26)27)19(25-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Compound was tested for inhibition activity against human thrombin (FIIa)				J Med Chem 42: 1749-56 (1999) Article DOI: 10.1021/jm980667k BindingDB Entry DOI: 10.7270/Q2FX78NF
					More data for this Ligand-Target Pair