BDBM50093301 3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl]-benzamidine::CHEMBL133328

SMILES: CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

InChI Key: InChIKey=DYDAGYSZFYAYOM-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50093301   

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))	BDBM50093301 (3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...) Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50093301 (3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...) Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity against trypsin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093301 (3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...) Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against plasmin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50093301 (3-[4-(5-Dihexylamino-pentyl)-3-oxo-3,4-dihydro-2H-...) Show SMILES CCCCCCN(CCCCCC)CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C32H48N4O2/c1-3-5-7-12-21-35(22-13-8-6-4-2)23-14-9-15-24-36-28-19-10-11-20-29(28)38-30(32(36)37)26-17-16-18-27(25-26)31(33)34/h10-11,16-20,25,30H,3-9,12-15,21-24H2,1-2H3,(H3,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair