Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'vogt' and Initial = 'j'   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521576 (CHEMBL4462278) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cc[nH]n1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N6O3S/c23-15-10-14-17(32-7-3-13(22(24,25)26)9-18(32)16-1-6-29-30-16)4-8-35-19(14)11-20(15)36(33,34)31-21-2-5-27-12-28-21/h1-2,5-6,10-13,17-18H,3-4,7-9H2,(H,29,30)(H,27,28,31)/t13-,17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521582 (CHEMBL4543884) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cn[nH]c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F4N6O3S/c23-16-8-15-17(32-5-2-14(22(24,25)26)7-18(32)13-10-29-30-11-13)3-6-35-19(15)9-20(16)36(33,34)31-21-1-4-27-12-28-21/h1,4,8-12,14,17-18H,2-3,5-7H2,(H,29,30)(H,27,28,31)/t14-,17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50466967 (CHEMBL4282994) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F5N4O3S/c26-17-3-1-15(2-4-17)21-11-16(25(28,29)30)6-9-34(21)20-7-10-37-22-13-23(19(27)12-18(20)22)38(35,36)33-24-5-8-31-14-32-24/h1-5,8,12-14,16,20-21H,6-7,9-11H2,(H,31,32,33)/t16-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521579 (CHEMBL4543422) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cccnc1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-18-11-17-19(33-8-4-16(24(26,27)28)10-20(33)15-2-1-6-29-13-15)5-9-36-21(17)12-22(18)37(34,35)32-23-3-7-30-14-31-23/h1-3,6-7,11-14,16,19-20H,4-5,8-10H2,(H,30,31,32)/t16-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521586 (CHEMBL4473871) Show SMILES Cn1ccc(n1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N6O3S/c1-32-7-4-17(30-32)19-10-14(23(25,26)27)3-8-33(19)18-5-9-36-20-12-21(16(24)11-15(18)20)37(34,35)31-22-2-6-28-13-29-22/h2,4,6-7,11-14,18-19H,3,5,8-10H2,1H3,(H,28,29,31)/t14-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521571 (CHEMBL4464990) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccccn1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-17-12-16-19(33-9-5-15(24(26,27)28)11-20(33)18-3-1-2-7-30-18)6-10-36-21(16)13-22(17)37(34,35)32-23-4-8-29-14-31-23/h1-4,7-8,12-15,19-20H,5-6,9-11H2,(H,29,31,32)/t15-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521573 (CHEMBL4519170) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N4O3S2/c24-16-3-1-14(2-4-16)20-11-15(23(25,26)27)7-9-31(20)19-8-10-34-21-12-17(5-6-18(19)21)36(32,33)30-22-28-13-29-35-22/h1-6,12-13,15,19-20H,7-11H2,(H,28,29,30)/t15-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521569 (CHEMBL4446868) Show SMILES Cn1nccc1[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N6O3S/c1-32-18(2-7-30-32)19-10-14(23(25,26)27)4-8-33(19)17-5-9-36-20-12-21(16(24)11-15(17)20)37(34,35)31-22-3-6-28-13-29-22/h2-3,6-7,11-14,17,19H,4-5,8-10H2,1H3,(H,28,29,31)/t14-,17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521568 (CHEMBL4444408) Show SMILES FC(F)(F)[C@H]1CCN([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H23F3N4O3S2/c24-23(25,26)16-8-10-30(20(12-16)15-4-2-1-3-5-15)19-9-11-33-21-13-17(6-7-18(19)21)35(31,32)29-22-27-14-28-34-22/h1-7,13-14,16,19-20H,8-12H2,(H,27,28,29)/t16-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521577 (CHEMBL4530176) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cnco1)C(F)(F)F |r| Show InChI InChI=1S/C22H21F4N5O4S/c23-15-8-14-16(31-5-2-13(22(24,25)26)7-17(31)19-10-28-12-35-19)3-6-34-18(14)9-20(15)36(32,33)30-21-1-4-27-11-29-21/h1,4,8-13,16-17H,2-3,5-7H2,(H,27,29,30)/t13-,16-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521585 (CHEMBL4557850) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccon1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F5N3O4S/c25-16-3-1-14(2-4-16)20-11-15(24(27,28)29)5-8-32(20)19-6-9-35-21-13-22(18(26)12-17(19)21)37(33,34)31-23-7-10-36-30-23/h1-4,7,10,12-13,15,19-20H,5-6,8-9,11H2,(H,30,31)/t15-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521580 (CHEMBL4474681) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccncn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O3S/c24-16-10-15-18(33-7-3-14(23(25,26)27)9-19(33)17-1-5-28-12-30-17)4-8-36-20(15)11-21(16)37(34,35)32-22-2-6-29-13-31-22/h1-2,5-6,10-14,18-19H,3-4,7-9H2,(H,29,31,32)/t14-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521578 (CHEMBL4444085) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccncc1)C(F)(F)F |r| Show InChI InChI=1S/C24H23F4N5O3S/c25-18-12-17-19(33-9-4-16(24(26,27)28)11-20(33)15-1-6-29-7-2-15)5-10-36-21(17)13-22(18)37(34,35)32-23-3-8-30-14-31-23/h1-3,6-8,12-14,16,19-20H,4-5,9-11H2,(H,30,31,32)/t16-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521575 (CHEMBL4450910) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r| Show InChI InChI=1S/C25H23F5N4O3S/c26-17-5-3-15(4-6-17)21-12-16(25(28,29)30)7-10-34(21)20-8-11-37-22-14-23(19(27)13-18(20)22)38(35,36)33-24-2-1-9-31-32-24/h1-6,9,13-14,16,20-21H,7-8,10-12H2,(H,32,33)/t16-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521587 (CHEMBL4569507) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1ccnnc1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O3S/c24-17-10-16-18(33-7-3-15(23(25,26)27)9-19(33)14-1-6-30-31-12-14)4-8-36-20(16)11-21(17)37(34,35)32-22-2-5-28-13-29-22/h1-2,5-6,10-13,15,18-19H,3-4,7-9H2,(H,28,29,32)/t15-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521574 (CHEMBL4455517) Show SMILES Fc1ccc(cc1)[C@H]1C[C@H](CCN1[C@H]1CCOc2cc(c(F)cc12)S(=O)(=O)Nc1ccc(F)cn1)C(F)(F)F |r| Show InChI InChI=1S/C26H23F6N3O3S/c27-17-3-1-15(2-4-17)22-11-16(26(30,31)32)7-9-35(22)21-8-10-38-23-13-24(20(29)12-19(21)23)39(36,37)34-25-6-5-18(28)14-33-25/h1-6,12-14,16,21-22H,7-11H2,(H,33,34)/t16-,21-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521581 (CHEMBL4462340) Show SMILES Fc1cc2[C@H](CCOc2cc1S(=O)(=O)Nc1ccncn1)N1CC[C@@H](C[C@@H]1c1cnccn1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N6O3S/c24-16-10-15-18(33-7-2-14(23(25,26)27)9-19(33)17-12-28-5-6-30-17)3-8-36-20(15)11-21(16)37(34,35)32-22-1-4-29-13-31-22/h1,4-6,10-14,18-19H,2-3,7-9H2,(H,29,31,32)/t14-,18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521570 (CHEMBL4539134) Show SMILES Fc1cc(c(F)cc1CN1CC[C@@H](C[C@@H]1c1ccccc1)C(F)(F)F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C21H19F5N4O2S2/c22-16-10-19(34(31,32)29-20-27-12-28-33-20)17(23)8-14(16)11-30-7-6-15(21(24,25)26)9-18(30)13-4-2-1-3-5-13/h1-5,8,10,12,15,18H,6-7,9,11H2,(H,27,28,29)/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521583 (CHEMBL4556147) Show SMILES Fc1cc(c(F)cc1CN1CCCC[C@@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H20F2N4O2S2/c21-16-11-19(30(27,28)25-20-23-13-24-29-20)17(22)10-15(16)12-26-9-5-4-8-18(26)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,18H,4-5,8-9,12H2,(H,23,24,25)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	509	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521584 (CHEMBL4452003) Show SMILES Fc1cc(c(F)cc1CN1CC[C@H](C[C@H]1c1ccccc1)C(F)(F)F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C21H19F5N4O2S2/c22-16-10-19(34(31,32)29-20-27-12-28-33-20)17(23)8-14(16)11-30-7-6-15(21(24,25)26)9-18(30)13-4-2-1-3-5-13/h1-5,8,10,12,15,18H,6-7,9,11H2,(H,27,28,29)/t15-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521572 (CHEMBL4585581) Show SMILES Fc1cc(c(F)cc1CN1CCCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H20F2N4O2S2/c21-16-11-19(30(27,28)25-20-23-13-24-29-20)17(22)10-15(16)12-26-9-5-4-8-18(26)14-6-2-1-3-7-14/h1-3,6-7,10-11,13,18H,4-5,8-9,12H2,(H,23,24,25)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Displacement of [3H]GX-545 from full length human Nav1.7 VSD4 domain expressed in HEK cell membranes measured after 20 hrs by liquid scintillation co...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521568 (CHEMBL4444408) Show SMILES FC(F)(F)[C@H]1CCN([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ncns2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C23H23F3N4O3S2/c24-23(25,26)16-8-10-30(20(12-16)15-4-2-1-3-5-15)19-9-11-33-21-13-17(6-7-18(19)21)35(31,32)29-22-27-14-28-34-22/h1-7,13-14,16,19-20H,8-12H2,(H,27,28,29)/t16-,19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.7 expressed in HEK293 cells assessed as reduction of current amplitude at -60 mV holding potential measured afte...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543391 (CHEMBL4638277) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C29H27F3N4O4/c1-29(2,3)16-5-14-11-33-36(28(40)25(14)22(32)7-16)24-9-17(30)8-18(20(24)13-37)15-6-23(27(39)35(4)12-15)34-26(38)19-10-21(19)31/h5-9,11-12,19,21,37H,10,13H2,1-4H3,(H,34,38)/t19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543390 (CHEMBL4643319) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C29H27F3N4O4/c1-29(2,3)16-5-14-11-33-36(28(40)25(14)22(32)7-16)24-9-17(30)8-18(20(24)13-37)15-6-23(27(39)35(4)12-15)34-26(38)19-10-21(19)31/h5-9,11-12,19,21,37H,10,13H2,1-4H3,(H,34,38)/t19-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543377 (CHEMBL4644207) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r| Show InChI InChI=1S/C28H30FN5O4/c1-28(2)11-15-9-22-27(38)34(7-6-33(22)23(15)12-28)24-19(14-35)17(4-5-30-24)16-8-21(26(37)32(3)13-16)31-25(36)18-10-20(18)29/h4-5,8-9,13,18,20,35H,6-7,10-12,14H2,1-3H3,(H,31,36)/t18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543383 (CHEMBL4634904) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543382 (CHEMBL4648439) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543378 (CHEMBL4644448) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r| Show InChI InChI=1S/C28H30FN5O4/c1-28(2)11-15-9-22-27(38)34(7-6-33(22)23(15)12-28)24-19(14-35)17(4-5-30-24)16-8-21(26(37)32(3)13-16)31-25(36)18-10-20(18)29/h4-5,8-9,13,18,20,35H,6-7,10-12,14H2,1-3H3,(H,31,36)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543381 (CHEMBL4641507) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C28H28FN5O4/c1-28(2,3)18-9-16-12-31-34(27(38)23(16)21(29)11-18)24-20(14-35)19(7-8-30-24)17-10-22(26(37)33(4)13-17)32-25(36)15-5-6-15/h7-13,15,35H,5-6,14H2,1-4H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543387 (CHEMBL4646964) Show SMILES Cn1nc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C27H26F2N6O4/c1-27(2,3)14-7-13-11-31-35(26(39)22(13)19(29)8-14)23-17(12-36)15(5-6-30-23)20-10-21(25(38)34(4)33-20)32-24(37)16-9-18(16)28/h5-8,10-11,16,18,36H,9,12H2,1-4H3,(H,32,37)/t16-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543366 (CHEMBL4644856) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C28H31N5O4/c1-28(2)12-17-11-22-27(37)33(9-8-32(22)23(17)13-28)24-20(15-34)19(6-7-29-24)18-10-21(26(36)31(3)14-18)30-25(35)16-4-5-16/h6-7,10-11,14,16,34H,4-5,8-9,12-13,15H2,1-3H3,(H,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543385 (CHEMBL4638307) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543380 (CHEMBL4649410) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncc2c3CCCCc3sc2c1=O Show InChI InChI=1S/C26H25N5O4S/c1-30-12-15(10-20(25(30)34)29-24(33)14-6-7-14)16-8-9-27-23(19(16)13-32)31-26(35)22-18(11-28-31)17-4-2-3-5-21(17)36-22/h8-12,14,32H,2-7,13H2,1H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 an...				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543371 (CHEMBL4638562) Show SMILES Cn1cc(cc(NC(=O)C2CCC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C29H33N5O4/c1-29(2)13-18-12-23-28(38)34(10-9-33(23)24(18)14-29)25-21(16-35)20(7-8-30-25)19-11-22(27(37)32(3)15-19)31-26(36)17-5-4-6-17/h7-8,11-12,15,17,35H,4-6,9-10,13-14,16H2,1-3H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543368 (CHEMBL4648782) Show SMILES CCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C27H31N5O4/c1-5-23(34)29-20-10-17(14-30(4)25(20)35)18-6-7-28-24(19(18)15-33)32-9-8-31-21(26(32)36)11-16-12-27(2,3)13-22(16)31/h6-7,10-11,14,33H,5,8-9,12-13,15H2,1-4H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50521570 (CHEMBL4539134) Show SMILES Fc1cc(c(F)cc1CN1CC[C@@H](C[C@@H]1c1ccccc1)C(F)(F)F)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C21H19F5N4O2S2/c22-16-10-19(34(31,32)29-20-27-12-28-33-20)17(23)8-14(16)11-30-7-6-15(21(24,25)26)9-18(30)13-4-2-1-3-5-13/h1-5,8,10,12,15,18H,6-7,9,11H2,(H,27,28,29)/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of full length human Nav1.7 expressed in HEK293 cells assessed as reduction of current amplitude at -60 mV holding potential measured afte...				J Med Chem 62: 4091-4109 (2019) Article DOI: 10.1021/acs.jmedchem.9b00141 BindingDB Entry DOI: 10.7270/Q2B85CJ3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543367 (CHEMBL4646782) Show SMILES CC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C26H29N5O4/c1-15(33)28-20-9-17(13-29(4)24(20)34)18-5-6-27-23(19(18)14-32)31-8-7-30-21(25(31)35)10-16-11-26(2,3)12-22(16)30/h5-6,9-10,13,32H,7-8,11-12,14H2,1-4H3,(H,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543372 (CHEMBL4647342) Show SMILES Cn1cc(cc(NC(=O)CC2CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C29H33N5O4/c1-29(2)13-18-12-23-28(38)34(9-8-33(23)24(18)14-29)26-21(16-35)20(6-7-30-26)19-11-22(27(37)32(3)15-19)31-25(36)10-17-4-5-17/h6-7,11-12,15,17,35H,4-5,8-10,13-14,16H2,1-3H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543386 (CHEMBL4647569) Show SMILES Cn1cc(nc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C27H26F2N6O4/c1-27(2,3)14-7-13-10-31-35(25(38)21(13)19(29)8-14)23-17(12-36)15(5-6-30-23)20-11-34(4)26(39)22(32-20)33-24(37)16-9-18(16)28/h5-8,10-11,16,18,36H,9,12H2,1-4H3,(H,32,33,37)/t16-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543384 (CHEMBL4633058) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543390 (CHEMBL4643319) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C29H27F3N4O4/c1-29(2,3)16-5-14-11-33-36(28(40)25(14)22(32)7-16)24-9-17(30)8-18(20(24)13-37)15-6-23(27(39)35(4)12-15)34-26(38)19-10-21(19)31/h5-9,11-12,19,21,37H,10,13H2,1-4H3,(H,34,38)/t19-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 an...				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543369 (CHEMBL4649614) Show SMILES CCCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C28H33N5O4/c1-5-6-24(35)30-21-11-18(15-31(4)26(21)36)19-7-8-29-25(20(19)16-34)33-10-9-32-22(27(33)37)12-17-13-28(2,3)14-23(17)32/h7-8,11-12,15,34H,5-6,9-10,13-14,16H2,1-4H3,(H,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543376 (CHEMBL4636316) Show SMILES Cn1cc(cc(NC(=O)C2(F)CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C28H30FN5O4/c1-27(2)12-16-11-21-25(37)34(9-8-33(21)22(16)13-27)23-19(15-35)18(4-7-30-23)17-10-20(24(36)32(3)14-17)31-26(38)28(29)5-6-28/h4,7,10-11,14,35H,5-6,8-9,12-13,15H2,1-3H3,(H,31,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543373 (CHEMBL4640083) Show SMILES Cn1cc(cc(NC(=O)C2COC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C28H31N5O5/c1-28(2)10-16-9-22-27(37)33(7-6-32(22)23(16)11-28)24-20(13-34)19(4-5-29-24)17-8-21(26(36)31(3)12-17)30-25(35)18-14-38-15-18/h4-5,8-9,12,18,34H,6-7,10-11,13-15H2,1-3H3,(H,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543374 (CHEMBL4638921) Show SMILES COCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C27H31N5O5/c1-27(2)11-16-10-21-26(36)32(8-7-31(21)22(16)12-27)24-19(14-33)18(5-6-28-24)17-9-20(25(35)30(3)13-17)29-23(34)15-37-4/h5-6,9-10,13,33H,7-8,11-12,14-15H2,1-4H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543381 (CHEMBL4641507) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C28H28FN5O4/c1-28(2,3)18-9-16-12-31-34(27(38)23(16)21(29)11-18)24-20(14-35)19(7-8-30-24)17-10-22(26(37)33(4)13-17)32-25(36)15-5-6-15/h7-13,15,35H,5-6,14H2,1-4H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 an...				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543383 (CHEMBL4634904) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 an...				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543379 (CHEMBL4638609) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCc3c(cc4CCCCn34)C2=O)c1CO Show InChI InChI=1S/C27H29N5O4/c1-30-14-17(12-22(27(30)36)29-25(34)16-5-6-16)19-7-9-28-24(21(19)15-33)32-11-8-23-20(26(32)35)13-18-4-2-3-10-31(18)23/h7,9,12-14,16,33H,2-6,8,10-11,15H2,1H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair

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