BDBM50093306 3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl}-benzamidine::CHEMBL130569

SMILES: CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N

InChI Key: InChIKey=CYMDODRBHNOOOT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50093306   

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))	BDBM50093306 (3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-o...) Show SMILES CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C26H34N4O2/c1-18-13-14-19(2)29(18)15-6-3-7-16-30-22-11-4-5-12-23(22)32-24(26(30)31)20-9-8-10-21(17-20)25(27)28/h4-5,8-12,17-19,24H,3,6-7,13-16H2,1-2H3,(H3,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	910	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
Coagulation factor X (Homo sapiens (Human))	BDBM50093306 (3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-o...) Show SMILES CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C26H34N4O2/c1-18-13-14-19(2)29(18)15-6-3-7-16-30-22-11-4-5-12-23(22)32-24(26(30)31)20-9-8-10-21(17-20)25(27)28/h4-5,8-12,17-19,24H,3,6-7,13-16H2,1-2H3,(H3,27,28)	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	48	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))	BDBM50093306 (3-{4-[5-(2,5-Dimethyl-pyrrolidin-1-yl)-pentyl]-3-o...) Show SMILES CC1CCC(C)N1CCCCCN1C(=O)C(Oc2ccccc12)c1cccc(c1)C(N)=N Show InChI InChI=1S/C26H34N4O2/c1-18-13-14-19(2)29(18)15-6-3-7-16-30-22-11-4-5-12-23(22)32-24(26(30)31)20-9-8-10-21(17-20)25(27)28/h4-5,8-12,17-19,24H,3,6-7,13-16H2,1-2H3,(H3,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	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