Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM251901'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM251901 (US9475809, 13 | US9918969, 16) Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCC(=O)c12 Show InChI InChI=1S/C25H16ClN5O5/c26-15-4-1-14(11-27)17(9-15)18-10-22(34)31(19-7-8-20(32)23(18)19)12-21(33)28-16-5-2-13(3-6-16)24-29-25(35)36-30-24/h1-6,9-10H,7-8,12H2,(H,28,33)(H,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...				US Patent US9475809 (2016) BindingDB Entry DOI: 10.7270/Q2G15ZRN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM251901 (US9475809, 13 | US9918969, 16) Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCC(=O)c12 Show InChI InChI=1S/C25H16ClN5O5/c26-15-4-1-14(11-27)17(9-15)18-10-22(34)31(19-7-8-20(32)23(18)19)12-21(33)28-16-5-2-13(3-6-16)24-29-25(35)36-30-24/h1-6,9-10H,7-8,12H2,(H,28,33)(H,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q2N58PPH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM251901 (US9475809, 13 | US9918969, 16) Show SMILES Clc1ccc(C#N)c(c1)-c1cc(=O)n(CC(=O)Nc2ccc(cc2)-c2noc(=O)[nH]2)c2CCC(=O)c12 Show InChI InChI=1S/C25H16ClN5O5/c26-15-4-1-14(11-27)17(9-15)18-10-22(34)31(19-7-8-20(32)23(18)19)12-21(33)28-16-5-2-13(3-6-16)24-29-25(35)36-30-24/h1-6,9-10H,7-8,12H2,(H,28,33)(H,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description The factor XIa inhibition of the inventive substances is determined using a biochemical test system which utilizes the reaction of a peptidic factor ...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q2N58PPH
					More data for this Ligand-Target Pair