BDBM50077171 2,6-di[3-amino-N-methyl carboxamide-(imino)methylphenoxy]-3-pyridinamine::CHEMBL51482

SMILES: CNC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N

InChI Key: InChIKey=AMVVAPIBSORRDI-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 = 50077171   

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))	BDBM50077171 (2,6-di[3-amino-N-methyl carboxamide-(imino)methylp...) Show SMILES CNC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C21H21N7O3/c1-26-21(29)27-16-8-9-17(30-14-6-2-4-12(10-14)18(22)23)28-20(16)31-15-7-3-5-13(11-15)19(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H2,26,27,29)	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	59	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))	BDBM50077171 (2,6-di[3-amino-N-methyl carboxamide-(imino)methylp...) Show SMILES CNC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C21H21N7O3/c1-26-21(29)27-16-8-9-17(30-14-6-2-4-12(10-14)18(22)23)28-20(16)31-15-7-3-5-13(11-15)19(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H2,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	840	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))	BDBM50077171 (2,6-di[3-amino-N-methyl carboxamide-(imino)methylp...) Show SMILES CNC(=O)Nc1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N Show InChI InChI=1S/C21H21N7O3/c1-26-21(29)27-16-8-9-17(30-14-6-2-4-12(10-14)18(22)23)28-20(16)31-15-7-3-5-13(11-15)19(24)25/h2-11H,1H3,(H3,22,23)(H3,24,25)(H2,26,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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