Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'engel' and Initial = 'k'   

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
Prothrombin (Homo sapiens (Human))	BDBM254888 (US9493472, 11) Show SMILES COc1cc(cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-15-13-34-25(2,7-8-31)14-30(15)23(32)17-10-19-22(21(11-17)33-3)35-24(28-19)29-20(12-27)16-5-4-6-18(26)9-16/h4-6,9-11,15,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t15-,20+,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254889 (US9493472, 12) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CC(C)O)OC[C@H]1C |r| Show InChI InChI=1S/C26H31ClFN3O5/c1-15-13-35-26(3,11-16(2)32)14-31(15)24(33)18-9-20-23(22(10-18)34-4)36-25(29-20)30-21(12-28)17-6-5-7-19(27)8-17/h5-10,15-16,21,32H,11-14H2,1-4H3,(H,29,30)/t15-,16?,21?,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254905 (US9493472, 27) Show SMILES CCO[C@@H]1CC(CO)N(C1)C(=O)c1cc(OC)c2oc(N[C@H](CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C24H27ClFN3O5/c1-3-33-18-10-17(13-30)29(12-18)23(31)15-8-19-22(21(9-15)32-2)34-24(27-19)28-20(11-26)14-5-4-6-16(25)7-14/h4-9,17-18,20,30H,3,10-13H2,1-2H3,(H,27,28)/t17?,18-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254904 (US9493472, 26) Show SMILES CCO[C@@H]1CC(CO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C24H27ClFN3O5/c1-3-33-18-10-17(13-30)29(12-18)23(31)15-8-19-22(21(9-15)32-2)34-24(27-19)28-20(11-26)14-5-4-6-16(25)7-14/h4-9,17-18,20,30H,3,10-13H2,1-2H3,(H,27,28)/t17?,18-,20?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254886 (US9493472, 9) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(CCO)OC[C@H]1C |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-15-13-34-25(2,7-8-31)14-30(15)23(32)17-10-19-22(21(11-17)33-3)35-24(28-19)29-20(12-27)16-5-4-6-18(26)9-16/h4-6,9-11,15,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t15-,20?,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254896 (US9493472, 18) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@H]1C1CC(O)C1 |r,wU:26.29,wD:30.34,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14-,16?,19?,21?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254895 (US9493472, 17) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@H](C)OC[C@@H]1C1CC(O)C1 |r,wU:30.34,26.29,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14-,16?,19?,21?,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254911 (US9493472, 33) Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC2(CC2)NC(=O)C1C |r| Show InChI InChI=1S/C24H24ClFN4O4/c1-13-21(31)29-24(6-7-24)12-30(13)22(32)15-9-17-20(19(10-15)33-2)34-23(27-17)28-18(11-26)14-4-3-5-16(25)8-14/h3-5,8-10,13,18H,6-7,11-12H2,1-2H3,(H,27,28)(H,29,31)/t13?,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254894 (US9493472, 16) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254907 (US9493472, 29 | US9493472, 30 | US9493472, 31) Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254910 (US9493472, 32) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC2(CC2)NC(=O)C1C Show InChI InChI=1S/C24H24ClFN4O4/c1-13-21(31)29-24(6-7-24)12-30(13)22(32)15-9-17-20(19(10-15)33-2)34-23(27-17)28-18(11-26)14-4-3-5-16(25)8-14/h3-5,8-10,13,18H,6-7,11-12H2,1-2H3,(H,27,28)(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254892 (US9493472, 15) Show SMILES COc1cc(cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OC[C@@H]1CCO |r| Show InChI InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14?,18-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254897 (US9493472, 19) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@@H](C)OC[C@@H]1C1CC(O)C1 |r,wU:30.34,wD:26.29,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14-,16?,19?,21?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor [960-1390] (Homo sapiens (Human))	BDBM240734 (US9422263, 5 | US9422263, 6) Show SMILES Cc1n[nH]c2ccc(cc12)C1C(C#N)=C(C)NC(=C1C#N)C(F)(F)F |c:19,t:15| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM103461 (US8551989, 18) Show SMILES CC(C)OCCOc1n[nH]c2ccc(cc12)C1C(C#N)C(C)=NC(C)=C1C#N |c:23,26| Show InChI InChI=1S/C21H23N5O2/c1-12(2)27-7-8-28-21-16-9-15(5-6-19(16)25-26-21)20-17(10-22)13(3)24-14(4)18(20)11-23/h5-6,9,12,17,20H,7-8H2,1-4H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Homogeneous time-resolved fluorescence assay using c-Met receptor tyrosine kinase.				US Patent US8551989 (2013) BindingDB Entry DOI: 10.7270/Q24F1PCX
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50048422 (CHEMBL3315084) Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)Nc2ccccc2)c1OC Show InChI InChI=1S/C23H20Cl2N2O5/c1-30-20-9-8-15(19(28)10-16-17(24)11-26-12-18(16)25)22(23(20)31-2)32-13-21(29)27-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
LEO Pharma A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP				J Med Chem 57: 5893-903 (2014) Article DOI: 10.1021/jm500378a BindingDB Entry DOI: 10.7270/Q2CV4KC4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254907 (US9493472, 29 | US9493472, 30 | US9493472, 31) Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254882 (US9493472, 5) Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(C)OCC1CO |r| Show InChI InChI=1S/C24H27ClFN3O5/c1-24(2)13-29(17(11-30)12-33-24)22(31)15-8-18-21(20(9-15)32-3)34-23(27-18)28-19(10-26)14-5-4-6-16(25)7-14/h4-9,17,19,30H,10-13H2,1-3H3,(H,27,28)/t17?,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254890 (US9493472, 13) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1CCO Show InChI InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254899 (US9493472, 21) Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |r,wU:10.9,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14?,16?,19?,21-,22?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254898 (US9493472, 20) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1C[C@@H](C)OC[C@H]1C1CC(O)C1 |r,wD:30.34,26.29,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14-,16?,19?,21?,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254900 (US9493472, 22) Show SMILES COc1cc(cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OCC1C1CC(O)C1 |r,wD:10.9,(-3.32,5.32,;-1.98,4.55,;-1.98,3.01,;-3.32,2.24,;-3.32,.7,;-1.98,-.07,;-.65,.7,;.82,.23,;1.72,1.47,;3.26,1.47,;4.03,.14,;3.26,-1.19,;4.03,-2.53,;5.57,.14,;6.34,1.47,;7.88,1.47,;8.65,.14,;7.88,-1.19,;8.65,-2.53,;6.34,-1.19,;.82,2.72,;-.65,2.24,;-4.65,-.07,;-4.65,-1.61,;-5.98,.7,;-5.98,2.24,;-7.32,3.01,;-7.32,4.55,;-8.65,2.24,;-8.65,.7,;-7.32,-.07,;-7.32,-1.61,;-8.41,-2.69,;-7.32,-3.78,;-7.32,-5.32,;-6.23,-2.69,)| Show InChI InChI=1S/C26H29ClFN3O5/c1-14-12-31(22(13-35-14)16-7-19(32)8-16)25(33)17-9-20-24(23(10-17)34-2)36-26(29-20)30-21(11-28)15-4-3-5-18(27)6-15/h3-6,9-10,14,16,19,21-22,32H,7-8,11-13H2,1-2H3,(H,29,30)/t14?,16?,19?,21-,22?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254881 (US9493472, 4 | US9493472, 6) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(C)OCC1CO Show InChI InChI=1S/C24H27ClFN3O5/c1-24(2)13-29(17(11-30)12-33-24)22(31)15-8-18-21(20(9-15)32-3)34-23(27-18)28-19(10-26)14-5-4-6-16(25)7-14/h4-9,17,19,30H,10-13H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254901 (US9493472, 23) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC2CCN2C(=O)C1C Show InChI InChI=1S/C24H24ClFN4O4/c1-13-22(31)29-7-6-17(29)12-30(13)23(32)15-9-18-21(20(10-15)33-2)34-24(27-18)28-19(11-26)14-4-3-5-16(25)8-14/h3-5,8-10,13,17,19H,6-7,11-12H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254891 (US9493472, 14) Show SMILES COc1cc(cc2nc(N[C@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OC[C@H]1CCO |r| Show InChI InChI=1S/C24H27ClFN3O5/c1-14-12-29(18(6-7-30)13-33-14)23(31)16-9-19-22(21(10-16)32-2)34-24(27-19)28-20(11-26)15-4-3-5-17(25)8-15/h3-5,8-10,14,18,20,30H,6-7,11-13H2,1-2H3,(H,27,28)/t14?,18-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor [960-1390] (Homo sapiens (Human))	BDBM62337 (Synthetic Example 4 (WO2008/071451)) Show SMILES CC1=C(C#N)C(C(C#N)=C(C)N1)c1cccc2[nH]ncc12 |c:1,t:8| Show InChI InChI=1S/C16H13N5/c1-9-12(6-17)16(13(7-18)10(2)20-9)11-4-3-5-15-14(11)8-19-21-15/h3-5,8,16,20H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor [960-1390] (Homo sapiens (Human))	BDBM240732 (US9422263, 2 | US9422263, 3) Show SMILES Cc1n[nH]c2ccc(cc12)C1C(C#N)=C(C)NC(C(F)F)=C1C#N |c:22,t:15| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor [960-1390] (Homo sapiens (Human))	BDBM240732 (US9422263, 2 | US9422263, 3) Show SMILES Cc1n[nH]c2ccc(cc12)C1C(C#N)=C(C)NC(C(F)F)=C1C#N |c:22,t:15| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254906 (US9493472, 28) Show SMILES CCO[C@@H]1CC(CO)N(C1)C(=O)c1cc(OC)c2oc(N[C@@H](CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C24H27ClFN3O5/c1-3-33-18-10-17(13-30)29(12-18)23(31)15-8-19-22(21(9-15)32-2)34-24(27-19)28-20(11-26)14-5-4-6-16(25)7-14/h4-9,17-18,20,30H,3,10-13H2,1-2H3,(H,27,28)/t17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254880 (US9493472, 3) Show SMILES COc1cc(cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CCC(O)C(C)C1 |r| Show InChI InChI=1S/C23H25ClFN3O4/c1-13-12-28(7-6-19(13)29)22(30)15-9-17-21(20(10-15)31-2)32-23(26-17)27-18(11-25)14-4-3-5-16(24)8-14/h3-5,8-10,13,18-19,29H,6-7,11-12H2,1-2H3,(H,26,27)/t13?,18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor [960-1390] (Homo sapiens (Human))	BDBM240741 (US9422263, 30) Show SMILES CCC(F)(F)C1=C(C#N)C(C(C#N)=C(C)N1)c1ccc2[nH]nc(C)c2c1 |c:5,t:12| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor [960-1390] (Homo sapiens (Human))	BDBM240737 (US9422263, 14) Show SMILES Cc1n[nH]c2cc(F)c(cc12)C1C(C#N)=C(NC(C(F)F)=C1C#N)C(F)F |c:16,22| Show InChI InChI=1S/C17H10F5N5/c1-6-7-2-8(11(18)3-12(7)27-26-6)13-9(4-23)14(16(19)20)25-15(17(21)22)10(13)5-24/h2-3,13,16-17,25H,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The N-terminally His6-tagged recombinant kinase domain of the human c-Met (amino acids 960-1390), expressed in insect cells (SF21) and purified by Ni...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50048421 (CHEMBL3315083) Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCc2ccccc2)c1OC Show InChI InChI=1S/C24H22Cl2N2O5/c1-31-21-9-8-16(20(29)10-17-18(25)12-27-13-19(17)26)23(24(21)32-2)33-14-22(30)28-11-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
LEO Pharma A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP				J Med Chem 57: 5893-903 (2014) Article DOI: 10.1021/jm500378a BindingDB Entry DOI: 10.7270/Q2CV4KC4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM254878 (US9493472, 1) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CCC(O)C(C)C1 Show InChI InChI=1S/C23H25ClFN3O4/c1-13-12-28(7-6-19(13)29)22(30)15-9-17-21(20(10-15)31-2)32-23(26-17)27-18(11-25)14-4-3-5-16(24)8-14/h3-5,8-10,13,18-19,29H,6-7,11-12H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50438083 (CHEMBL2409755) Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC12CC3CC(CC(C3)C1)C2 |r,w:12.14,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,TEB:12:13:16:20.19.18,12:13:16.15.20:18| Show InChI InChI=1S/C17H26N2O3S/c20-23(21)15-4-2-1-3-14(15)22-16(19-23)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-15H,1-10H2,(H,18,19)/t11?,12?,13?,14-,15+,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 23: 4685-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.102 BindingDB Entry DOI: 10.7270/Q2BV7J2H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50438080 (CHEMBL2409607) Show SMILES O=S1(=O)NC(O[C@H]2CCCC[C@@H]12)=NC12CC3CC1CC(C2)C3 |r,w:12.14,TLB:20:19:16:13.14,THB:20:13:16:19.18.21,TEB:12:13:16:19.18.21,12:13:18:16.15.21| Show InChI InChI=1S/C16H24N2O3S/c19-22(20)14-4-2-1-3-13(14)21-15(18-22)17-16-8-10-5-11(9-16)7-12(16)6-10/h10-14H,1-9H2,(H,17,18)/t10?,11?,12?,13-,14+,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 23: 4685-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.102 BindingDB Entry DOI: 10.7270/Q2BV7J2H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50438070 (CHEMBL2409724) Show SMILES C[C@H](N=C1NS(=O)(=O)C(C)(C)C(C)(C)O1)c1ccccc1Cl |r,w:3.3| Show InChI InChI=1S/C15H21ClN2O3S/c1-10(11-8-6-7-9-12(11)16)17-13-18-22(19,20)15(4,5)14(2,3)21-13/h6-10H,1-5H3,(H,17,18)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 23: 4685-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.102 BindingDB Entry DOI: 10.7270/Q2BV7J2H
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50438068 (CHEMBL2409726) Show SMILES CC1(C)OC(NS(=O)(=O)C1(C)C)=N[C@@H](CCO)c1ccccc1Cl |r,w:4.4| Show InChI InChI=1S/C16H23ClN2O4S/c1-15(2)16(3,4)24(21,22)19-14(23-15)18-13(9-10-20)11-7-5-6-8-12(11)17/h5-8,13,20H,9-10H2,1-4H3,(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 23: 4685-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.102 BindingDB Entry DOI: 10.7270/Q2BV7J2H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254903 (US9493472, 25) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)(C)OC[C@H]1CCO |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-25(2)14-30(18(7-8-31)13-34-25)23(32)16-10-19-22(21(11-16)33-3)35-24(28-19)29-20(12-27)15-5-4-6-17(26)9-15/h4-6,9-11,18,20,31H,7-8,12-14H2,1-3H3,(H,28,29)/t18-,20?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254902 (US9493472, 24) Show SMILES COc1cc(cc2nc(NC(CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OC[C@@H]1CC(O)=O |r| Show InChI InChI=1S/C24H25ClFN3O6/c1-13-11-29(17(12-34-13)9-21(30)31)23(32)15-7-18-22(20(8-15)33-2)35-24(27-18)28-19(10-26)14-4-3-5-16(25)6-14/h3-8,13,17,19H,9-12H2,1-2H3,(H,27,28)(H,30,31)/t13?,17-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM317598 (US9624199, 8 | {6-[(2,6-Difluorobenzyl)(methyl)ami...) Show SMILES C[C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1ccc(nc1)N(C)Cc1c(F)cccc1F |r| Show InChI InChI=1S/C25H32F2N4O/c1-18-5-4-12-31(16-18)20-10-13-30(14-11-20)25(32)19-8-9-24(28-15-19)29(2)17-21-22(26)6-3-7-23(21)27/h3,6-9,15,18,20H,4-5,10-14,16-17H2,1-2H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To prepare cell membranes with human α1- and α2-adrenergic receptors, CHO cells stably overexpressing α1- and α2-adrenergic recep...				US Patent US9624199 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6VB7
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM398510 ((rac)-{2-[(1-Methoxybutan-2-yl)amino]pyrimidin-5-y...) Show SMILES CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(OC)cc2C1 Show InChI InChI=1S/C25H35N5O3/c1-4-21(17-32-2)28-25-26-14-20(15-27-25)24(31)29-11-8-22(9-12-29)30-10-7-18-5-6-23(33-3)13-19(18)16-30/h5-6,13-15,21-22H,4,7-12,16-17H2,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description Antagonism against the adrenoreceptor α1A was tested using a recombinant human α1A receptor CHO cell line which additionally also recombina...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2PN9803
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50048446 (CHEMBL3315088) Show SMILES CCCNC(=O)COc1c(ccc(OC)c1OC)C(=O)Cc1c(Cl)cncc1Cl Show InChI InChI=1S/C20H22Cl2N2O5/c1-4-7-24-18(26)11-29-19-12(5-6-17(27-2)20(19)28-3)16(25)8-13-14(21)9-23-10-15(13)22/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
LEO Pharma A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP				J Med Chem 57: 5893-903 (2014) Article DOI: 10.1021/jm500378a BindingDB Entry DOI: 10.7270/Q2CV4KC4
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50048447 (CHEMBL3315089) Show SMILES COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c(OCC(=O)NCc2ccccc2)c1OC Show InChI InChI=1S/C24H22Cl2N2O6/c1-32-21-9-8-16(20(29)10-17-18(25)12-28(31)13-19(17)26)23(24(21)33-2)34-14-22(30)27-11-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
LEO Pharma A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP				J Med Chem 57: 5893-903 (2014) Article DOI: 10.1021/jm500378a BindingDB Entry DOI: 10.7270/Q2CV4KC4
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254907 (US9493472, 29 | US9493472, 30 | US9493472, 31) Show SMILES CCO[C@@H]1CC(CCO)N(C1)C(=O)c1cc(OC)c2oc(NC(CF)c3cccc(Cl)c3)nc2c1 |r| Show InChI InChI=1S/C25H29ClFN3O5/c1-3-34-19-12-18(7-8-31)30(14-19)24(32)16-10-20-23(22(11-16)33-2)35-25(28-20)29-21(13-27)15-5-4-6-17(26)9-15/h4-6,9-11,18-19,21,31H,3,7-8,12-14H2,1-2H3,(H,28,29)/t18?,19-,21?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM254884 (US9493472, 7) Show SMILES COc1cc(cc2nc(N[C@@H](CF)c3cccc(Cl)c3)oc12)C(=O)N1CC(C)OC[C@H]1C |r| Show InChI InChI=1S/C23H25ClFN3O4/c1-13-12-31-14(2)11-28(13)22(29)16-8-18-21(20(9-16)30-3)32-23(26-18)27-19(10-25)15-5-4-6-17(24)7-15/h4-9,13-14,19H,10-12H2,1-3H3,(H,26,27)/t13-,14?,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.4	22
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine the thrombin inhibition of the substances listed above, a biochemical test system is constructed in which the conversion of a thrombin s...				US Patent US9493472 (2016) BindingDB Entry DOI: 10.7270/Q2B56HPW
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM240732 (US9422263, 2 | US9422263, 3) Show SMILES Cc1n[nH]c2ccc(cc12)C1C(C#N)=C(C)NC(C(F)F)=C1C#N |c:22,t:15| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	32
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant human c-Met protein (Invitrogen, Carlsbad, Calif., USA) is used. As substrate for the kinase reaction the peptide KKKSPGEYVNIEFG (JPT, Ge...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50438067 (CHEMBL2409727) Show SMILES CC1(C)OC(NS(=O)(=O)C1(C)C)=N[C@@H](CCO)c1cccc(c1)C#N |r,w:4.4| Show InChI InChI=1S/C17H23N3O4S/c1-16(2)17(3,4)25(22,23)20-15(24-16)19-14(8-9-21)13-7-5-6-12(10-13)11-18/h5-7,10,14,21H,8-9H2,1-4H3,(H,19,20)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1				Bioorg Med Chem Lett 23: 4685-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.102 BindingDB Entry DOI: 10.7270/Q2BV7J2H
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM240732 (US9422263, 2 | US9422263, 3) Show SMILES Cc1n[nH]c2ccc(cc12)C1C(C#N)=C(C)NC(C(F)F)=C1C#N |c:22,t:15| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	32
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant human c-Met protein (Invitrogen, Carlsbad, Calif., USA) is used. As substrate for the kinase reaction the peptide KKKSPGEYVNIEFG (JPT, Ge...				US Patent US9422263 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZW2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM103457 (US8551989, 2) Show SMILES CC1=NC(C)=C(C#N)C(C1C#N)c1ccc2[nH]nc(SCc3ccccc3)c2c1 |t:1,4| Show InChI InChI=1S/C23H19N5S/c1-14-19(11-24)22(20(12-25)15(2)26-14)17-8-9-21-18(10-17)23(28-27-21)29-13-16-6-4-3-5-7-16/h3-10,19,22H,13H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.0	32
Bayer Intellectual Property GmbH US Patent					Assay Description Tyrosine kinase activity assay (NADH Read-Out) using c-Met receptor.				US Patent US8551989 (2013) BindingDB Entry DOI: 10.7270/Q24F1PCX
					More data for this Ligand-Target Pair

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