Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM413641'   

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))	BDBM413641 (4-[(2-{4-[5-Chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1 |r,t:40| Show InChI InChI=1S/C30H30ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-10,14,16-17,21,26H,2-4,11-13,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413641 (4-[(2-{4-[5-Chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1 |r,t:40| Show InChI InChI=1S/C30H30ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-10,14,16-17,21,26H,2-4,11-13,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413641 (4-[(2-{4-[5-Chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1 |r,t:40| Show InChI InChI=1S/C30H30ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-10,14,16-17,21,26H,2-4,11-13,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FXIa: Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting fin...				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09935
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM413641 (4-[(2-{4-[5-Chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)...) Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C1=NOCC1 |r,t:40| Show InChI InChI=1S/C30H30ClN3O7/c1-39-27-17-34(28(35)16-24(27)23-14-19(31)7-10-22(23)25-11-13-41-33-25)26(15-21-4-2-3-12-40-21)29(36)32-20-8-5-18(6-9-20)30(37)38/h5-10,14,16-17,21,26H,2-4,11-13,15H2,1H3,(H,32,36)(H,37,38)/t21-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The factor XIa inhibition of the substances according to the invention is determined using a biochemical test system which utilizes the reaction of a...				US Patent US10421742 (2019) BindingDB Entry DOI: 10.7270/Q26M3967
					More data for this Ligand-Target Pair