BDBM50077193 2,6-Bis-(3-carbamimidoyl-phenoxy)-N-carbamoylmethyl-nicotinamide::CHEMBL49358

SMILES: NC(=O)CNC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N

InChI Key: InChIKey=YBMZQPAFMNIKID-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 = 50077193   

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))	BDBM50077193 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N-carbamoylmethy...) Show SMILES NC(=O)CNC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H21N7O4/c23-17(30)11-28-21(31)16-7-8-18(32-14-5-1-3-12(9-14)19(24)25)29-22(16)33-15-6-2-4-13(10-15)20(26)27/h1-10H,11H2,(H2,23,30)(H3,24,25)(H3,26,27)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	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))	BDBM50077193 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N-carbamoylmethy...) Show SMILES NC(=O)CNC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H21N7O4/c23-17(30)11-28-21(31)16-7-8-18(32-14-5-1-3-12(9-14)19(24)25)29-22(16)33-15-6-2-4-13(10-15)20(26)27/h1-10H,11H2,(H2,23,30)(H3,24,25)(H3,26,27)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+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))	BDBM50077193 (2,6-Bis-(3-carbamimidoyl-phenoxy)-N-carbamoylmethy...) Show SMILES NC(=O)CNC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C22H21N7O4/c23-17(30)11-28-21(31)16-7-8-18(32-14-5-1-3-12(9-14)19(24)25)29-22(16)33-15-6-2-4-13(10-15)20(26)27/h1-10H,11H2,(H2,23,30)(H3,24,25)(H3,26,27)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+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 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