Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'courneya' and Initial = 'b'   

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
Renin (Homo sapiens (Human))	BDBM50065428 (CHEMBL3401350) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065395 (CHEMBL3401345) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)N2CC(CC2=O)c2cccc(Cl)c2)C(=N)N1 |r| Show InChI InChI=1S/C25H29ClN4O2/c1-16(2)25(3)13-23(32)30(24(27)28-25)14-17-6-4-9-21(10-17)29-15-19(12-22(29)31)18-7-5-8-20(26)11-18/h4-11,16,19H,12-15H2,1-3H3,(H2,27,28)/t19?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065426 (CHEMBL3401348) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H30N4O2/c1-16(2)24(4)14-21(29)28(23(25)27-24)15-18-9-8-12-20(13-18)22(30)26-17(3)19-10-6-5-7-11-19/h5-13,16-17H,14-15H2,1-4H3,(H2,25,27)(H,26,30)/t17-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065424 (CHEMBL3401346) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(c2)N2C[C@H](CC2=O)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29N5O2/c1-16(2)24(3)13-22(31)29(23(25)27-24)14-17-9-10-26-20(11-17)28-15-19(12-21(28)30)18-7-5-4-6-8-18/h4-11,16,19H,12-15H2,1-3H3,(H2,25,27)/t19-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065425 (CHEMBL3401347) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(c2)N2CC[C@@H](C2)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H31N5O/c1-17(2)24(3)14-22(30)29(23(25)27-24)15-18-9-11-26-21(13-18)28-12-10-20(16-28)19-7-5-4-6-8-19/h4-9,11,13,17,20H,10,12,14-16H2,1-3H3,(H2,25,27)/t20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065393 (CHEMBL3401344) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)N2C[C@H](CC2=O)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C25H29FN4O2/c1-16(2)25(3)13-23(32)30(24(27)28-25)14-17-9-20(26)12-21(10-17)29-15-19(11-22(29)31)18-7-5-4-6-8-18/h4-10,12,16,19H,11,13-15H2,1-3H3,(H2,27,28)/t19-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065391 (CHEMBL3401342) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)N2C[C@H](CC2=O)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50065390 (CHEMBL3401341) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C23H28N4O2/c1-16(2)23(3)13-20(28)27(22(24)26-23)15-18-10-7-11-19(12-18)21(29)25-14-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H2,24,26)(H,25,29)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50065389 (CHEMBL3401340) Show SMILES C[C@]1(CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C28H26N4O2S/c1-28(23-10-11-24-21(15-23)12-13-35-24)16-25(33)32(27(29)31-28)18-20-8-5-9-22(14-20)26(34)30-17-19-6-3-2-4-7-19/h2-15H,16-18H2,1H3,(H2,29,31)(H,30,34)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065427 (CHEMBL3401349) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)N[C@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H30N4O2/c1-16(2)24(4)14-21(29)28(23(25)27-24)15-18-9-8-12-20(13-18)22(30)26-17(3)19-10-6-5-7-11-19/h5-13,16-17H,14-15H2,1-4H3,(H2,25,27)(H,26,30)/t17-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50065428 (CHEMBL3401350) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CathD (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50065392 (CHEMBL3401343) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)N2C[C@@H](CC2=O)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C25H30N4O2/c1-17(2)25(3)14-23(31)29(24(26)27-25)15-18-8-7-11-21(12-18)28-16-20(13-22(28)30)19-9-5-4-6-10-19/h4-12,17,20H,13-16H2,1-3H3,(H2,26,27)/t20-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50065428 (CHEMBL3401350) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE2 (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50065428 (CHEMBL3401350) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CathE (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50065390 (CHEMBL3401341) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C23H28N4O2/c1-16(2)23(3)13-20(28)27(22(24)26-23)15-18-10-7-11-19(12-18)21(29)25-14-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H2,24,26)(H,25,29)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CathD (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50065389 (CHEMBL3401340) Show SMILES C[C@]1(CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C28H26N4O2S/c1-28(23-10-11-24-21(15-23)12-13-35-24)16-25(33)32(27(29)31-28)18-20-8-5-9-22(14-20)26(34)30-17-19-6-3-2-4-7-19/h2-15H,16-18H2,1H3,(H2,29,31)(H,30,34)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50065428 (CHEMBL3401350) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50065390 (CHEMBL3401341) Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C23H28N4O2/c1-16(2)23(3)13-20(28)27(22(24)26-23)15-18-10-7-11-19(12-18)21(29)25-14-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H2,24,26)(H,25,29)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50065389 (CHEMBL3401340) Show SMILES C[C@]1(CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C28H26N4O2S/c1-28(23-10-11-24-21(15-23)12-13-35-24)16-25(33)32(27(29)31-28)18-20-8-5-9-22(14-20)26(34)30-17-19-6-3-2-4-7-19/h2-15H,16-18H2,1H3,(H2,29,31)(H,30,34)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CathD (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM98678 (US8497286, 154) Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r| Show InChI InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50382334 (CHEMBL1276678) Show SMILES CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)C[C@H]1CCCOC1 |r| Show InChI InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50392953 (CHEMBL2152353) Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:4.4,2.2,wD:6.6,TLB:38:35:28.29.30:32,36:35:28:30.31.32,27:28:34.38.35:30.31.32,27:28:32:34.35.37,THB:38:29:32:34.35.37,37:35:28:30.31.32,37:31:28:34.38.35,(13.51,-6.54,;12.17,-7.31,;12.17,-8.85,;10.84,-9.62,;9.51,-8.85,;9.51,-7.31,;8.17,-9.62,;6.84,-8.85,;8.17,-11.16,;6.84,-11.93,;5.5,-11.17,;4.16,-11.94,;2.83,-11.17,;4.18,-13.47,;5.51,-14.24,;6.84,-13.48,;7.61,-14.81,;8.38,-13.48,;2.85,-14.25,;1.51,-13.49,;.18,-14.26,;.18,-15.8,;1.52,-16.57,;2.85,-15.8,;4.19,-16.57,;13.51,-9.62,;13.51,-11.16,;14.84,-8.86,;16.17,-9.63,;17.67,-9.21,;17.67,-7.62,;18.71,-6.39,;17.36,-6.87,;17.37,-8.35,;18.7,-8.84,;20.09,-8.5,;21.42,-9.26,;20.1,-6.97,;19.08,-9.77,)| Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27?,30?/m1/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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50347010 (CHEMBL1796063) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(Br)c1C |r| Show InChI InChI=1S/C27H36BrN3O3/c1-18-20(5-4-12-34-3)13-19(14-25(18)28)17-31(22-6-7-22)27(33)24-16-29-10-8-23(24)21-9-11-30(2)26(32)15-21/h9,11,13-15,22-24,29H,4-8,10,12,16-17H2,1-3H3/t23-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 25: 1592-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.003 BindingDB Entry DOI: 10.7270/Q2X63PMJ
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057398 (CHEMBL3322775) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(Cl)c3)c3cccn-23)c1 Show InChI InChI=1S/C25H27ClN4O2/c1-28(2)21-8-6-17(15-19(21)26)24(31)29-13-10-25(11-14-29)23-5-4-12-30(23)22-9-7-18(32-3)16-20(22)27-25/h4-9,12,15-16,27H,10-11,13-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057402 (CHEMBL3322777) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057365 (CHEMBL3322762) Show SMILES COc1ccc-2c(NC3(CCN(Cc4ccccc4)CC3)c3cccn-23)c1 Show InChI InChI=1S/C23H25N3O/c1-27-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057401 (CHEMBL3322776) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(Cl)c3)c3cccn-23)c1 Show InChI InChI=1S/C24H24ClN3O3/c1-30-17-6-7-20-19(15-17)26-24(22-4-3-11-28(20)22)9-12-27(13-10-24)23(29)16-5-8-21(31-2)18(25)14-16/h3-8,11,14-15,26H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057356 (CHEMBL3322666) Show SMILES Cc1cc(C)cc(c1)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc21 Show InChI InChI=1S/C24H25N3O/c1-17-14-18(2)16-19(15-17)23(28)26-12-9-24(10-13-26)22-8-5-11-27(22)21-7-4-3-6-20(21)25-24/h3-8,11,14-16,25H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057374 (CHEMBL3322759) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(Cl)c3)c3cccn-23)c1 Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-7-8-20-19(15-18)25-23(21-6-3-11-27(20)21)9-12-26(13-10-23)22(28)16-4-2-5-17(24)14-16/h2-8,11,14-15,25H,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057394 (CHEMBL3322773) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)N(C)C)c3cccn-23)c1 Show InChI InChI=1S/C25H28N4O2/c1-27(2)19-8-6-18(7-9-19)24(30)28-15-12-25(13-16-28)23-5-4-14-29(23)22-11-10-20(31-3)17-21(22)26-25/h4-11,14,17,26H,12-13,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057358 (CHEMBL3322668) Show SMILES FC(F)(F)Oc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1 Show InChI InChI=1S/C24H19F3N4O2/c25-24(26,27)33-18-7-8-20-19(14-18)29-23(21-2-1-11-31(20)21)9-12-30(13-10-23)22(32)17-5-3-16(15-28)4-6-17/h1-8,11,14,29H,9-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057404 (CHEMBL3322778) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(N(C)C)c(OC)c3)c3cccn-23)c1 Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-9-7-18(16-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-10-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057378 (CHEMBL3322772) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c3cccn-23)c1 Show InChI InChI=1S/C23H22ClN3O2/c1-29-18-8-9-20-19(15-18)25-23(21-3-2-12-27(20)21)10-13-26(14-11-23)22(28)16-4-6-17(24)7-5-16/h2-9,12,15,25H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057405 (CHEMBL3322779) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cc(C)cc(C)c3)c3cccn-23)c1 Show InChI InChI=1S/C25H27N3O2/c1-17-13-18(2)15-19(14-17)24(29)27-11-8-25(9-12-27)23-5-4-10-28(23)22-7-6-20(30-3)16-21(22)26-25/h4-7,10,13-16,26H,8-9,11-12H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057375 (CHEMBL3322760) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(c3)C#N)c3cccn-23)c1 Show InChI InChI=1S/C24H22N4O2/c1-30-19-7-8-21-20(15-19)26-24(22-6-3-11-28(21)22)9-12-27(13-10-24)23(29)18-5-2-4-17(14-18)16-25/h2-8,11,14-15,26H,9-10,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057372 (CHEMBL3322769) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(OC)c3)c3cccn-23)c1 Show InChI InChI=1S/C24H25N3O3/c1-29-18-6-3-5-17(15-18)23(28)26-13-10-24(11-14-26)22-7-4-12-27(22)21-9-8-19(30-2)16-20(21)25-24/h3-9,12,15-16,25H,10-11,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057359 (CHEMBL3322669) Show SMILES FC(F)(F)c1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1 Show InChI InChI=1S/C24H19F3N4O/c25-24(26,27)18-7-8-20-19(14-18)29-23(21-2-1-11-31(20)21)9-12-30(13-10-23)22(32)17-5-3-16(15-28)4-6-17/h1-8,11,14,29H,9-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057377 (CHEMBL3322771) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(C)cc3)c3cccn-23)c1 Show InChI InChI=1S/C24H25N3O2/c1-17-5-7-18(8-6-17)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(29-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057373 (CHEMBL3322758) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(C)c3)c3cccn-23)c1 Show InChI InChI=1S/C24H25N3O2/c1-17-5-3-6-18(15-17)23(28)26-13-10-24(11-14-26)22-7-4-12-27(22)21-9-8-19(29-2)16-20(21)25-24/h3-9,12,15-16,25H,10-11,13-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	321	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057402 (CHEMBL3322777) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells by whole cell voltage clamp technique				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057363 (CHEMBL3322673) Show SMILES Brc1ccc2NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn3-c2c1 Show InChI InChI=1S/C23H19BrN4O/c24-18-7-8-19-20(14-18)28-11-1-2-21(28)23(26-19)9-12-27(13-10-23)22(29)17-5-3-16(15-25)4-6-17/h1-8,11,14,26H,9-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50057402 (CHEMBL3322777) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057355 (CHEMBL3322665) Show SMILES CN(C)c1cccc(c1)C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc21 Show InChI InChI=1S/C24H26N4O/c1-26(2)19-8-5-7-18(17-19)23(29)27-15-12-24(13-16-27)22-11-6-14-28(22)21-10-4-3-9-20(21)25-24/h3-11,14,17,25H,12-13,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	381	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057360 (CHEMBL3322670) Show SMILES Clc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(cc3)C#N)c3cccn-23)c1 Show InChI InChI=1S/C23H19ClN4O/c24-18-7-8-20-19(14-18)26-23(21-2-1-11-28(20)21)9-12-27(13-10-23)22(29)17-5-3-16(15-25)4-6-17/h1-8,11,14,26H,9-10,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	404	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057371 (CHEMBL3322768) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccccc3Br)c3cccn-23)c1 Show InChI InChI=1S/C23H22BrN3O2/c1-29-16-8-9-20-19(15-16)25-23(21-7-4-12-27(20)21)10-13-26(14-11-23)22(28)17-5-2-3-6-18(17)24/h2-9,12,15,25H,10-11,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057370 (CHEMBL3322767) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccccc3OC)c3cccn-23)c1 Show InChI InChI=1S/C24H25N3O3/c1-29-17-9-10-20-19(16-17)25-24(22-8-5-13-27(20)22)11-14-26(15-12-24)23(28)18-6-3-4-7-21(18)30-2/h3-10,13,16,25H,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057376 (CHEMBL3322770) Show SMILES COc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc21 Show InChI InChI=1S/C24H25N3O3/c1-29-18-7-5-17(6-8-18)23(28)26-14-11-24(12-15-26)22-4-3-13-27(22)21-10-9-19(30-2)16-20(21)25-24/h3-10,13,16,25H,11-12,14-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50057396 (CHEMBL3322774) Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(C#N)c(OC)c3)c3cccn-23)c1 Show InChI InChI=1S/C25H24N4O3/c1-31-19-7-8-21-20(15-19)27-25(23-4-3-11-29(21)23)9-12-28(13-10-25)24(30)17-5-6-18(16-26)22(14-17)32-2/h3-8,11,14-15,27H,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50057365 (CHEMBL3322762) Show SMILES COc1ccc-2c(NC3(CCN(Cc4ccccc4)CC3)c3cccn-23)c1 Show InChI InChI=1S/C23H25N3O/c1-27-19-9-10-21-20(16-19)24-23(22-8-5-13-26(21)22)11-14-25(15-12-23)17-18-6-3-2-4-7-18/h2-10,13,16,24H,11-12,14-15,17H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	455	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.5 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4110-3 (2014) Article DOI: 10.1016/j.bmcl.2014.07.060 BindingDB Entry DOI: 10.7270/Q24M9656
					More data for this Ligand-Target Pair

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