BDBM50093310 3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-benzamidine::CHEMBL133326

SMILES: CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

InChI Key: InChIKey=OQIVOCNUKJDXKR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50093310   

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
Prothrombin (Homo sapiens (Human))	BDBM50093310 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	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 trypsin				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50093310 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	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 activated protein C				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))	BDBM50093310 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	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
Coagulation factor X (Homo sapiens (Human))	BDBM50093310 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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 Prothrombinase				J Med Chem 43: 4063-70 (2000) BindingDB Entry DOI: 10.7270/Q2W66K1H
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50093310 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.40E+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
Coagulation factor X (Homo sapiens (Human))	BDBM50093310 (3-{4-[5-(2,6-Dimethyl-piperidin-1-yl)-pentyl]-3-ox...) Show SMILES CC1CCCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C27H36N4O2/c1-19-10-8-11-20(2)30(19)16-6-3-7-17-31-23-14-4-5-15-24(23)33-25(27(31)32)21-12-9-13-22(18-21)26(28)29/h4-5,9,12-15,18-20,25H,3,6-8,10-11,16-17H2,1-2H3,(H3,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	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