BDBM50071418 3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6,7,8-tetrahydro-pteridin-4-yloxy]-N,N-dimethyl-benzamide::CHEMBL307989

SMILES: CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1

InChI Key: InChIKey=PILHGSGBSPLDRI-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 = 50071418   

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))	BDBM50071418 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-20-17-19(25-10-16(31)26-17)27-22(28-20)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	81	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 inhibitory activity against human Coagulation factor X				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50071418 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-20-17-19(25-10-16(31)26-17)27-22(28-20)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50071418 (3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-5,6...) Show SMILES CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3NCC(=O)Nc23)c1 Show InChI InChI=1S/C22H21N7O5/c1-29(2)21(32)12-4-3-5-13(8-12)33-20-17-19(25-10-16(31)26-17)27-22(28-20)34-15-9-11(18(23)24)6-7-14(15)30/h3-9,30H,10H2,1-2H3,(H3,23,24)(H,26,31)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 2235-40 (1999) BindingDB Entry DOI: 10.7270/Q2G44PGD
					More data for this Ligand-Target Pair