Compile Data Set for Download or QSAR

Found 6597 hits with Last Name = 'kreutter' 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))	BDBM50123504 (CHEMBL142546 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1C Show InChI InChI=1S/C22H24F2N6O2/c1-14-10-27-20(28-13-22(23,24)17-6-4-3-5-7-17)21(32)30(14)12-19(31)26-11-16-8-9-18(25)29-15(16)2/h3-10H,11-13H2,1-2H3,(H2,25,29)(H,26,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377618 (CHEMBL254353) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]-c2cccc3cccnc23)ccc1C#N Show InChI InChI=1S/C22H22FN7O2/c23-20-17(11-19(31)27-9-10-32-30-22(25)26)15(12-24)6-7-18(20)29-13-16-4-1-3-14-5-2-8-28-21(14)16/h1-8,29H,9-11,13H2,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377625 (CHEMBL254557) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]C(F)(F)c2ccc(Cl)cn2)ccc1C#N Show InChI InChI=1S/C19H19ClF3N7O2/c20-12-2-4-15(28-9-12)19(22,23)10-29-14-3-1-11(8-24)13(17(14)21)7-16(31)27-5-6-32-30-18(25)26/h1-4,9,29H,5-7,10H2,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377615 (CHEMBL254962) Show SMILES CS(=O)(=O)c1ccccc1C(F)(F)CNc1ccc(C#N)c(CC(=O)NCCONC(N)=N)c1F Show InChI InChI=1S/C21H23F3N6O4S/c1-35(32,33)17-5-3-2-4-15(17)21(23,24)12-29-16-7-6-13(11-25)14(19(16)22)10-18(31)28-8-9-34-30-20(26)27/h2-7,29H,8-10,12H2,1H3,(H,28,31)(H4,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377623 (CHEMBL254759) Show SMILES N\C([NH-])=[NH+]\OCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])ccc1C#N Show InChI InChI=1S/C19H19ClF3N7O3/c20-12-2-4-15(30(32)9-12)19(22,23)10-28-14-3-1-11(8-24)13(17(14)21)7-16(31)27-5-6-33-29-18(25)26/h1-4,9,28H,5-7,10H2,(H5,25,26,27,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223074 (CHEMBL250466 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)cn2)c1F Show InChI InChI=1S/C22H20Cl2F3N5O/c1-12-13(2-7-19(28)32-12)9-30-20(33)8-15-16(24)4-5-17(21(15)25)31-11-22(26,27)18-6-3-14(23)10-29-18/h2-7,10,31H,8-9,11H2,1H3,(H2,28,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377611 (CHEMBL258018) Show SMILES Cc1nc(N)ccc1CNC(=O)Cc1c(F)c(NCC(F)(F)c2ccccn2)ccc1C#N Show InChI InChI=1S/C23H21F3N6O/c1-14-16(6-8-20(28)32-14)12-30-21(33)10-17-15(11-27)5-7-18(22(17)24)31-13-23(25,26)19-4-2-3-9-29-19/h2-9,31H,10,12-13H2,1H3,(H2,28,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377619 (CHEMBL402758) Show SMILES [#6]-c1cccc(n1)C(F)(F)[#6]-[#7]-c1ccc(C#N)c(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1F Show InChI InChI=1S/C20H22F3N7O2/c1-12-3-2-4-16(29-12)20(22,23)11-28-15-6-5-13(10-24)14(18(15)21)9-17(31)27-7-8-32-30-19(25)26/h2-6,28H,7-9,11H2,1H3,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223067 (CHEMBL250651 | N-(6-amino-2-methyl-pyridin-3-ylmet...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])c1F Show InChI InChI=1S/C22H20Cl2F3N5O2/c1-12-13(2-7-19(28)31-12)9-29-20(33)8-15-16(24)4-5-17(21(15)25)30-11-22(26,27)18-6-3-14(23)10-32(18)34/h2-7,10,30H,8-9,11H2,1H3,(H2,28,31)(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377622 (CHEMBL257543) Show SMILES NC(=N)NOCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccccn2)ccc1C#N Show InChI InChI=1S/C19H20F3N7O2/c20-17-13(9-16(30)27-7-8-31-29-18(24)25)12(10-23)4-5-14(17)28-11-19(21,22)15-3-1-2-6-26-15/h1-6,28H,7-9,11H2,(H,27,30)(H4,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50377620 (CHEMBL254784) Show SMILES [#6]-c1ccc(nc1)C(F)(F)[#6]-[#7]-c1ccc(C#N)c(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1F Show InChI InChI=1S/C20H22F3N7O2/c1-12-2-5-16(28-10-12)20(22,23)11-29-15-4-3-13(9-24)14(18(15)21)8-17(31)27-6-7-32-30-19(25)26/h2-5,10,29H,6-8,11H2,1H3,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377614 (CHEMBL401655) Show SMILES N\C([NH-])=[NH+]\OCCNC(=O)Cc1c(F)c(NCC(F)(F)c2cccc[n+]2[O-])ccc1C#N Show InChI InChI=1S/C19H20F3N7O3/c20-17-13(9-16(30)26-6-8-32-28-18(24)25)12(10-23)4-5-14(17)27-11-19(21,22)15-3-1-2-7-29(15)31/h1-5,7,27H,6,8-9,11H2,(H5,24,25,26,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377617 (CHEMBL403359) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]C(F)(F)c2cccc(Cl)c2)ccc1C#N Show InChI InChI=1S/C20H20ClF3N6O2/c21-14-3-1-2-13(8-14)20(23,24)11-29-16-5-4-12(10-25)15(18(16)22)9-17(31)28-6-7-32-30-19(26)27/h1-5,8,29H,6-7,9,11H2,(H,28,31)(H4,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377624 (CHEMBL403310) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]C(F)(F)c2ccc(F)c(F)c2)ccc1C#N Show InChI InChI=1S/C20H19F5N6O2/c21-14-3-2-12(7-15(14)22)20(24,25)10-30-16-4-1-11(9-26)13(18(16)23)8-17(32)29-5-6-33-31-19(27)28/h1-4,7,30H,5-6,8,10H2,(H,29,32)(H4,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223066 (CHEMBL250650 | N-[2-({[amino(imino)methyl]amino}ox...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(Cl)ccc(-[#7]-[#6]C(F)(F)c2ccc(Cl)cn2)c1F Show InChI InChI=1S/C18H19Cl2F3N6O2/c19-10-1-4-14(27-8-10)18(22,23)9-28-13-3-2-12(20)11(16(13)21)7-15(30)26-5-6-31-29-17(24)25/h1-4,8,28H,5-7,9H2,(H,26,30)(H4,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377607 (CHEMBL404025) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]C(F)(F)c2ccccc2)ccc1C#N Show InChI InChI=1S/C20H21F3N6O2/c21-18-15(10-17(30)27-8-9-31-29-19(25)26)13(11-24)6-7-16(18)28-12-20(22,23)14-4-2-1-3-5-14/h1-7,28H,8-10,12H2,(H,27,30)(H4,25,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223081 (CHEMBL250273 | N-[2-(carbamimidamidooxy)ethyl]-2-(...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(Cl)ccc(-[#7]-[#6]C(F)(F)c2cccc3cccnc23)c1F Show InChI InChI=1S/C22H22ClF3N6O2/c23-16-6-7-17(19(24)14(16)11-18(33)29-9-10-34-32-21(27)28)31-12-22(25,26)15-5-1-3-13-4-2-8-30-20(13)15/h1-8,31H,9-12H2,(H,29,33)(H4,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223071 (CHEMBL399868 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F Show InChI InChI=1S/C27H23ClF4N4O/c1-15-16(6-11-24(33)36-15)13-34-25(37)12-19-21(28)8-10-23(26(19)30)35-14-27(31,32)20-7-9-22(29)18-5-3-2-4-17(18)20/h2-11,35H,12-14H2,1H3,(H2,33,36)(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377626 (CHEMBL254786) Show SMILES [#6]-c1ccnc(c1)C(F)(F)[#6]-[#7]-c1ccc(C#N)c(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1F Show InChI InChI=1S/C20H22F3N7O2/c1-12-4-5-27-16(8-12)20(22,23)11-29-15-3-2-13(10-24)14(18(15)21)9-17(31)28-6-7-32-30-19(25)26/h2-5,8,29H,6-7,9,11H2,1H3,(H,28,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223069 (CHEMBL250461 | N-[2-(carbamimidamidooxy)ethyl]-2-(...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(Cl)ccc(-[#7]-[#6]C(F)(F)c2ccc(F)c3ccccc23)c1F Show InChI InChI=1S/C23H22ClF4N5O2/c24-17-6-8-19(21(26)15(17)11-20(34)31-9-10-35-33-22(29)30)32-12-23(27,28)16-5-7-18(25)14-4-2-1-3-13(14)16/h1-8,32H,9-12H2,(H,31,34)(H4,29,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377616 (CHEMBL258198) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(F)c(-[#7]-[#6]C(F)(F)c2cccc(F)c2)ccc1C#N Show InChI InChI=1S/C20H20F4N6O2/c21-14-3-1-2-13(8-14)20(23,24)11-29-16-5-4-12(10-25)15(18(16)22)9-17(31)28-6-7-32-30-19(26)27/h1-5,8,29H,6-7,9,11H2,(H,28,31)(H4,26,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223078 (CHEMBL250465 | N-((6-amino-2,4-dimethylpyridin-3-y...) Show SMILES Cc1cc(N)nc(C)c1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F Show InChI InChI=1S/C24H24ClF3N4O/c1-14-10-21(29)32-15(2)18(14)12-30-22(33)11-17-19(25)8-9-20(23(17)26)31-13-24(27,28)16-6-4-3-5-7-16/h3-10,31H,11-13H2,1-2H3,(H2,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377608 (CHEMBL256941) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-c1ccc(-[#6])n(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1=O Show InChI InChI=1S/C18H24N6O5S/c1-12-4-3-5-14(10-12)30(27,28)23-15-7-6-13(2)24(17(15)26)11-16(25)21-8-9-29-22-18(19)20/h3-7,10,23H,8-9,11H2,1-2H3,(H,21,25)(H4,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149023 (3-{[1-({[(diaminomethylidene)amino]oxy}methyl)cycl...) Show SMILES CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CONC(N)=N)CC2)c1 Show InChI InChI=1S/C22H30N4O4/c1-3-7-26(12-17-4-8-28-13-17)20(27)18-9-16(2)10-19(11-18)29-14-22(5-6-22)15-30-25-21(23)24/h4,8-11,13H,3,5-7,12,14-15H2,1-2H3,(H4,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50149023 (3-{[1-({[(diaminomethylidene)amino]oxy}methyl)cycl...) Show SMILES CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CONC(N)=N)CC2)c1 Show InChI InChI=1S/C22H30N4O4/c1-3-7-26(12-17-4-8-28-13-17)20(27)18-9-16(2)10-19(11-18)29-14-22(5-6-22)15-30-25-21(23)24/h4,8-11,13H,3,5-7,12,14-15H2,1-2H3,(H4,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223065 (CHEMBL250460 | N-[2-(carbamimidamidooxy)ethyl]-2-(...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(Cl)ccc(-[#7]-[#6]C(F)(F)c2cccc3cnccc23)c1F Show InChI InChI=1S/C22H22ClF3N6O2/c23-17-4-5-18(20(24)15(17)10-19(33)30-8-9-34-32-21(27)28)31-12-22(25,26)16-3-1-2-13-11-29-7-6-14(13)16/h1-7,11,31H,8-10,12H2,(H,30,33)(H4,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223075 (CHEMBL250463 | N-[2-({[amino(imino)methyl]amino}ox...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1c(Cl)ccc(-[#7]-[#6]C(F)(F)c2ccccn2)c1F Show InChI InChI=1S/C18H20ClF3N6O2/c19-12-4-5-13(27-10-18(21,22)14-3-1-2-6-25-14)16(20)11(12)9-15(29)26-7-8-30-28-17(23)24/h1-6,27H,7-10H2,(H,26,29)(H4,23,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377613 (CHEMBL258225) Show SMILES CN(OCCNC(=O)Cc1c(F)c(NCC(F)(F)c2ccccn2)ccc1C#N)C(N)=N Show InChI InChI=1S/C20H22F3N7O2/c1-30(19(25)26)32-9-8-28-17(31)10-14-13(11-24)5-6-15(18(14)21)29-12-20(22,23)16-4-2-3-7-27-16/h2-7,29H,8-10,12H2,1H3,(H3,25,26)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM471715 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-fluoro-4-phe...) Show SMILES Fc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.78,4.35,;-3.12,3.58,;-4.45,4.35,;-5.78,3.58,;-7.12,4.35,;-8.45,3.58,;-9.78,4.35,;-11.12,3.58,;-11.12,2.04,;-9.78,1.27,;-8.45,2.04,;-5.78,2.04,;-4.45,1.27,;-3.12,2.04,;-1.78,1.27,;-1.78,-.27,;-3.12,-1.04,;-3.12,-2.58,;-1.78,-3.35,;-.45,-2.58,;1.04,-2.98,;1.88,-1.68,;3.42,-1.68,;4.19,-.35,;4.19,-3.02,;5.73,-3.02,;6.5,-4.35,;8.04,-4.35,;8.81,-3.02,;8.04,-1.68,;6.5,-1.68,;8.81,-.35,;8.04,.98,;10.35,-.35,;11.12,-1.68,;.89,-.27,;.89,1.27,;-.45,2.04,;-.45,3.58,;-.45,-1.04,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50223076 (CHEMBL399662 | N-((6-amino-2-methylpyridin-3-yl)me...) Show SMILES Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F Show InChI InChI=1S/C23H22ClF3N4O/c1-14-15(7-10-20(28)31-14)12-29-21(32)11-17-18(24)8-9-19(22(17)25)30-13-23(26,27)16-5-3-2-4-6-16/h2-10,30H,11-13H2,1H3,(H2,28,31)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human thrombin after 15 mins by standard chromogenic assay				Bioorg Med Chem Lett 17: 6266-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.013 BindingDB Entry DOI: 10.7270/Q29G5MH9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377621 (CHEMBL254785) Show SMILES [#6]-c1cccnc1C(F)(F)[#6]-[#7]-c1ccc(C#N)c(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]\[#7]=[#6](\[#7])-[#7])c1F Show InChI InChI=1S/C20H22F3N7O2/c1-12-3-2-6-28-18(12)20(22,23)11-29-15-5-4-13(10-24)14(17(15)21)9-16(31)27-7-8-32-30-19(25)26/h2-6,29H,7-9,11H2,1H3,(H,27,31)(H4,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377612 (CHEMBL255916) Show SMILES Nc1ccc(CNC(=O)Cc2c(F)c(NCC(F)(F)c3ccccn3)ccc2C#N)cn1 Show InChI InChI=1S/C22H19F3N6O/c23-21-16(9-20(32)30-12-14-4-7-19(27)29-11-14)15(10-26)5-6-17(21)31-13-22(24,25)18-3-1-2-8-28-18/h1-8,11,31H,9,12-13H2,(H2,27,29)(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50569791 (CHEMBL4846828) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](CC(=O)C=C)C4)c([nH]c1=O)c23 |r,wU:28.30,wD:25.26,(55.67,-29.88,;55.67,-28.34,;54.33,-27.57,;54.33,-26.03,;53,-25.26,;53,-23.72,;54.34,-22.95,;54.34,-21.41,;53,-20.64,;51.67,-21.42,;51.67,-22.95,;55.66,-25.25,;57,-26.02,;57,-27.57,;58.33,-28.34,;58.34,-29.88,;57.02,-30.64,;57.01,-32.16,;58.34,-32.93,;59.66,-32.16,;61.52,-32.32,;62.15,-30.91,;63.65,-30.59,;64.68,-31.74,;64.13,-29.13,;65.64,-28.81,;66.26,-27.4,;67.79,-27.56,;68.11,-29.07,;69.52,-29.7,;70.76,-28.79,;70.61,-27.26,;72.17,-29.42,;73.42,-28.52,;66.78,-29.84,;61,-29.88,;61,-28.34,;59.66,-27.56,;59.66,-26.02,;59.67,-30.65,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM467364 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-chloro-4-phe...) Show SMILES Clc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,3.85,;-3.29,3.08,;-4.62,3.85,;-5.95,3.08,;-7.29,3.85,;-8.62,3.08,;-9.95,3.85,;-11.29,3.08,;-11.29,1.54,;-9.95,.77,;-8.62,1.54,;-5.95,1.54,;-4.62,.77,;-3.29,1.54,;-1.95,.77,;-1.95,-.77,;-3.29,-1.54,;-3.29,-3.08,;-1.95,-3.85,;-.62,-3.08,;.72,-3.85,;2.05,-2.07,;3.59,-2.07,;4.36,-3.41,;4.36,-.74,;5.9,-.74,;6.67,-2.07,;8.21,-2.07,;8.98,-.74,;8.21,.59,;6.67,.59,;8.98,1.93,;8.21,3.26,;10.52,1.93,;11.29,.59,;.72,-.77,;.72,.77,;-.62,1.54,;-.62,3.08,;-.62,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123630 (US8748624, 144) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(Cl)ccc1CNc1ccc(c(Cl)c1)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C29H21Cl2F4N3O3/c30-19-4-1-17(22(12-19)18-3-8-26(38-15-18)28(41)36-10-9-27(39)40)14-37-20-5-6-21(24(31)13-20)16-2-7-25(32)23(11-16)29(33,34)35/h1-8,11-13,15,37H,9-10,14H2,(H,36,41)(H,39,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123549 (US8748624, 35) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(ccc1CNc1ccc(c(Cl)c1)-c1ccc(F)c(Cl)c1)C(F)(F)F Show InChI InChI=1S/C29H21Cl2F4N3O3/c30-23-13-20(5-6-21(23)16-2-7-25(32)24(31)11-16)37-14-17-1-4-19(29(33,34)35)12-22(17)18-3-8-26(38-15-18)28(41)36-10-9-27(39)40/h1-8,11-13,15,37H,9-10,14H2,(H,36,41)(H,39,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123582 (US8748624, 74) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(cc(Cl)c1CNc1ccc(c(Cl)c1)-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C29H21Cl3F3N3O3/c30-19-4-1-16(2-5-19)21-7-6-20(13-25(21)32)37-15-23-22(11-18(12-24(23)31)29(33,34)35)17-3-8-26(38-14-17)28(41)36-10-9-27(39)40/h1-8,11-14,37H,9-10,15H2,(H,36,41)(H,39,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	14.9	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM485273 (N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(2-meth...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,29.32,(-.48,2.9,;-1.82,2.13,;-3.15,2.9,;-4.48,2.13,;-5.82,2.9,;-7.15,2.13,;-8.49,2.9,;-9.82,2.13,;-9.82,.59,;-8.49,-.18,;-7.15,.59,;-4.48,.59,;-3.15,-.18,;-1.82,.59,;-.48,-.18,;-.48,-1.72,;-1.82,-2.49,;-1.82,-4.03,;-.48,-4.8,;.85,-4.03,;2.3,-4.48,;3,-3,;4.54,-3,;5.31,-4.33,;5.31,-1.66,;6.85,-1.66,;7.76,-2.91,;9.22,-2.43,;9.22,-.89,;7.76,-.42,;7.28,1.05,;8.31,2.19,;9.82,1.87,;7.84,3.66,;8.87,4.8,;2.18,-1.72,;2.18,-.18,;.85,.59,;.85,2.13,;.85,-2.49,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123633 (US8748624, 147) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(Cl)ccc1CNc1ccc(cc1)-c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C29H22Cl2F3N3O3/c30-21-6-1-18(24(14-21)19-4-10-26(37-16-19)28(40)35-12-11-27(38)39)15-36-22-7-2-17(3-8-22)23-9-5-20(13-25(23)31)29(32,33)34/h1-10,13-14,16,36H,11-12,15H2,(H,35,40)(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	15.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123556 (US8748624, 42) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(ccc1CNc1ccc(c(Cl)c1)-c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C30H21Cl2F6N3O3/c31-24-12-19(30(36,37)38)4-6-21(24)22-7-5-20(13-25(22)32)40-14-16-1-3-18(29(33,34)35)11-23(16)17-2-8-26(41-15-17)28(44)39-10-9-27(42)43/h1-8,11-13,15,40H,9-10,14H2,(H,39,44)(H,42,43)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123637 (US8748624, 151) Show SMILES Cc1cc(F)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(nc2)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C29H25ClFN3O3/c1-18-14-23(31)7-10-25(18)19-3-8-24(9-4-19)33-16-20-2-6-22(30)15-26(20)21-5-11-27(34-17-21)29(37)32-13-12-28(35)36/h2-11,14-15,17,33H,12-13,16H2,1H3,(H,32,37)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123559 (US8748624, 51) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(Cl)ccc1CNc1ccc(c(Cl)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C28H21Cl4N3O3/c29-18-3-1-16(23(11-18)17-2-8-26(35-15-17)28(38)33-10-9-27(36)37)14-34-20-5-7-22(25(32)13-20)21-6-4-19(30)12-24(21)31/h1-8,11-13,15,34H,9-10,14H2,(H,33,38)(H,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	16.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123557 (US8748624, 43) Show SMILES Cc1cc(ccc1-c1ccc(NCc2ccc(cc2-c2ccc(nc2)C(=O)NCCC(O)=O)C(F)(F)F)cc1Cl)C(F)(F)F Show InChI InChI=1S/C31H24ClF6N3O3/c1-17-12-20(30(33,34)35)5-7-23(17)24-8-6-22(14-26(24)32)40-15-18-2-4-21(31(36,37)38)13-25(18)19-3-9-27(41-16-19)29(44)39-11-10-28(42)43/h2-9,12-14,16,40H,10-11,15H2,1H3,(H,39,44)(H,42,43)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	17.2	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123651 (US8748624, 174) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(ccc1CNc1ccc(cc1)-c1ccc(F)cc1)C1=CCCCC1 |t:39| Show InChI InChI=1S/C34H32FN3O3/c35-29-13-8-24(9-14-29)25-10-15-30(16-11-25)37-21-27-7-6-26(23-4-2-1-3-5-23)20-31(27)28-12-17-32(38-22-28)34(41)36-19-18-33(39)40/h4,6-17,20,22,37H,1-3,5,18-19,21H2,(H,36,41)(H,39,40)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123558 (US8748624, 44) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(ccc1CNc1ccc(cc1)-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C29H23ClF3N3O3/c30-23-8-2-18(3-9-23)19-4-10-24(11-5-19)35-16-20-1-7-22(29(31,32)33)15-25(20)21-6-12-26(36-17-21)28(39)34-14-13-27(37)38/h1-12,15,17,35H,13-14,16H2,(H,34,39)(H,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123634 (US8748624, 148) Show SMILES Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(nc2)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C29H25Cl2N3O3/c1-18-14-22(30)7-10-25(18)19-3-8-24(9-4-19)33-16-20-2-6-23(31)15-26(20)21-5-11-27(34-17-21)29(37)32-13-12-28(35)36/h2-11,14-15,17,33H,12-13,16H2,1H3,(H,32,37)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18.7	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123575 (US8748624, 67) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(cc(Cl)c1CNc1ccc(cc1)-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C29H22Cl2F3N3O3/c30-21-6-1-17(2-7-21)18-3-8-22(9-4-18)36-16-24-23(13-20(14-25(24)31)29(32,33)34)19-5-10-26(37-15-19)28(40)35-12-11-27(38)39/h1-10,13-15,36H,11-12,16H2,(H,35,40)(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	18.8	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50377609 (CHEMBL256091) Show SMILES Nc1noc2cc(CNC(=O)Cc3c(F)c(NCC(F)(F)c4ccccn4)ccc3C#N)ccc12 Show InChI InChI=1S/C24H19F3N6O2/c25-22-17(10-21(34)31-12-14-4-6-16-19(9-14)35-33-23(16)29)15(11-28)5-7-18(22)32-13-24(26,27)20-3-1-2-8-30-20/h1-9,32H,10,12-13H2,(H2,29,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human thrombin				Bioorg Med Chem Lett 18: 2865-70 (2008) Article DOI: 10.1016/j.bmcl.2008.03.087 BindingDB Entry DOI: 10.7270/Q2FJ2HP3
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123544 (US8748624, 30) Show SMILES Cc1cc(ccc1-c1ccc(NCc2ccc(cc2-c2ccc(nc2)C(=O)NCCC(O)=O)C(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C31H25F6N3O3/c1-18-14-22(30(32,33)34)7-10-25(18)19-3-8-24(9-4-19)39-16-20-2-6-23(31(35,36)37)15-26(20)21-5-11-27(40-17-21)29(43)38-13-12-28(41)42/h2-11,14-15,17,39H,12-13,16H2,1H3,(H,38,43)(H,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19.3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair
Glucagon receptor (Homo sapiens (Human))	BDBM123535 (US8748624, 21) Show SMILES OC(=O)CCNC(=O)c1ccc(cn1)-c1cc(ccc1CNc1ccc(cc1)-c1ccc(Cl)cc1Cl)C(F)(F)F Show InChI InChI=1S/C29H22Cl2F3N3O3/c30-21-6-9-23(25(31)14-21)17-2-7-22(8-3-17)36-15-18-1-5-20(29(32,33)34)13-24(18)19-4-10-26(37-16-19)28(40)35-12-11-27(38)39/h1-10,13-14,16,36H,11-12,15H2,(H,35,40)(H,38,39)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	19.4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Janssen Pharmaceutica NV US Patent					Assay Description The binding assay was performed by a filtration method in a 384 well format. Membranes at a final protein concentration of 6 μg/well were incuba...				US Patent US8748624 (2014) BindingDB Entry DOI: 10.7270/Q29885QP
					More data for this Ligand-Target Pair

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