Compile Data Set for Download or QSAR

Found 1586 hits with Last Name = 'tran' and Initial = 'l'   

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
D(1B) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM81490 (CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...) Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM81490 (CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...) Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50026957 ((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...) Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM50008735 ((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...) Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM50026957 ((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...) Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385299 (CHEMBL2035464 | US8592468, EbSe16) Show SMILES O=c1n(CCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C20H20N2O2Se2/c23-19-15-9-3-5-11-17(15)25-21(19)13-7-1-2-8-14-22-20(24)16-10-4-6-12-18(16)26-22/h3-6,9-12H,1-2,7-8,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	10	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM60917 (9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...) Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12 Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM81485 (CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...) Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM81485 (CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...) Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385302 (CHEMBL2035461 | US8592468, EbSe15) Show SMILES O=c1n(CCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C17H14N2O2Se2/c20-16-12-6-1-3-8-14(12)22-18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)23-19/h1-4,6-9H,5,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	40	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM50513992 (CHEMBL3919119) Show SMILES NCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)B(O)O)cc1 |r| Show InChI InChI=1S/C22H31BN6O4/c24-14-16-10-8-15(9-11-16)13-18(28-20(30)17-5-2-1-3-6-17)21(31)29-19(23(32)33)7-4-12-27-22(25)26/h1-3,5-6,8-11,18-19,32-33H,4,7,12-14,24H2,(H,28,30)(H,29,31)(H4,25,26,27)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 170 residues) protease domain expressed in Escherichia coli BL21...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385303 (CHEMBL2035460 | US8592468, EbSe14) Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	50	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50040241 (3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM50004822 ((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...) Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50004822 ((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...) Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106948 (US8592468, EbSe12) Show SMILES [O-][N+](=O)c1cccnc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C12H7N3O3Se/c16-12-8-4-1-2-6-10(8)19-14(12)11-9(15(17)18)5-3-7-13-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	250	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106941 (US8592468, EbSe8) Show SMILES Cc1cc(Cl)ccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H10ClNOSe/c1-9-8-10(15)6-7-12(9)16-14(17)11-4-2-3-5-13(11)18-16/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	250	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	300	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM50040241 (3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b...) Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8| Show InChI InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106940 (US8592468, EbSe7) Show SMILES Clc1ccc(cc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C13H8ClNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Nonstructural protein 3 (Zika virus)	BDBM15236 (3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of Zika virus Asian/8375 NS2B (48 to 100 residues)-NS3 (14 to 185 residues) expressed in Escherichia coli BL21 (DE3) Star cells preincubat...				J Med Chem 63: 470-489 (2020) Article DOI: 10.1021/acs.jmedchem.9b00775 BindingDB Entry DOI: 10.7270/Q2RX9GFS
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106944 (US8592468, EbSe2) Show SMILES O=c1[nH][se]c2ccccc12 Show InChI InChI=1S/C7H5NOSe/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.00E+3	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM81777 (CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594) Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106942 (US8592468, EbSe9) Show SMILES O=COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H9NO3Se/c16-9-18-12-7-3-2-6-11(12)15-14(17)10-5-1-4-8-13(10)19-15/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20E+3	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106949 (US8592468, EbSe13) Show SMILES O=c1n([se]c2ccccc12)-c1ccncc1 Show InChI InChI=1S/C12H8N2OSe/c15-12-10-3-1-2-4-11(10)16-14(12)9-5-7-13-8-6-9/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.50E+3	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM81777 (CAS_132-66-1 | NPA | NPA,(+) | NPA,(-) | NSC_8594) Show SMILES OC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (RAT)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 88: 7491-5 (1991) Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371616 ((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...) Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O3S/c26-23-6-1-15(13-31-23)21-11-16(25(27,28)29)2-4-18(21)19-8-10-36-22-12-17(3-5-20(19)22)37(34,35)33-24-7-9-30-14-32-24/h1-7,9,11-14,19H,8,10H2,(H,30,32,33)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371616 ((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...) Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O3S/c26-23-6-1-15(13-31-23)21-11-16(25(27,28)29)2-4-18(21)19-8-10-36-22-12-17(3-5-20(19)22)37(34,35)33-24-7-9-30-14-32-24/h1-7,9,11-14,19H,8,10H2,(H,30,32,33)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...				J Med Chem 63: 6107-6133 (2020) Article DOI: 10.1021/acs.jmedchem.0c00361 BindingDB Entry DOI: 10.7270/Q2V69P5C
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371648 ((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(2-methyloxazol-...) Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F Show InChI InChI=1S/C25H19F4N3O4S/c1-14-30-21(13-36-14)20-11-15(25(27,28)29)5-7-17(20)18-9-10-35-22-12-16(6-8-19(18)22)37(33,34)32-24-4-2-3-23(26)31-24/h2-8,11-13,18H,9-10H2,1H3,(H,31,32)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371618 ((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...) Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O3S/c26-23-8-3-15(14-30-23)21-12-16(25(27,28)29)4-6-18(21)19-9-11-36-22-13-17(5-7-20(19)22)37(34,35)33-24-2-1-10-31-32-24/h1-8,10,12-14,19H,9,11H2,(H,32,33)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371523 ((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(1-methyl-1H-pyr...) Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F Show InChI InChI=1S/C25H20F4N4O3S/c1-33-21(9-11-30-33)20-13-15(25(27,28)29)5-7-17(20)18-10-12-36-22-14-16(6-8-19(18)22)37(34,35)32-24-4-2-3-23(26)31-24/h2-9,11,13-14,18H,10,12H2,1H3,(H,31,32)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371635 ((R)-4-(2-(1H-1,2,3-Triazol-1-yl)-4-(trifluoromethy...) Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)n1 Show InChI InChI=1S/C23H17F4N5O3S/c24-21-2-1-3-22(29-21)30-36(33,34)15-5-7-18-16(8-11-35-20(18)13-15)17-6-4-14(23(25,26)27)12-19(17)32-10-9-28-31-32/h1-7,9-10,12-13,16H,8,11H2,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50545560 (CHEMBL4634421) Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r| Show InChI InChI=1S/C24H17F4N3O3S2/c25-22-6-1-14(13-30-22)20-11-15(24(26,27)28)2-4-17(20)18-7-9-34-21-12-16(3-5-19(18)21)36(32,33)31-23-29-8-10-35-23/h1-6,8,10-13,18H,7,9H2,(H,29,31)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...				J Med Chem 63: 6107-6133 (2020) Article DOI: 10.1021/acs.jmedchem.0c00361 BindingDB Entry DOI: 10.7270/Q2V69P5C
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50545552 (CHEMBL4646742) Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r| Show InChI InChI=1S/C23H19F3N4O3S2/c1-30-20(6-8-28-30)19-12-14(23(24,25)26)2-4-16(19)17-7-10-33-21-13-15(3-5-18(17)21)35(31,32)29-22-27-9-11-34-22/h2-6,8-9,11-13,17H,7,10H2,1H3,(H,27,29)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...				J Med Chem 63: 6107-6133 (2020) Article DOI: 10.1021/acs.jmedchem.0c00361 BindingDB Entry DOI: 10.7270/Q2V69P5C
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50545563 (CHEMBL4636838) Show SMILES Fc1ccc(cc1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |r| Show InChI InChI=1S/C25H18F4N2O3S2/c26-17-4-1-15(2-5-17)22-13-16(25(27,28)29)3-7-19(22)20-9-11-34-23-14-18(6-8-21(20)23)36(32,33)31-24-30-10-12-35-24/h1-8,10,12-14,20H,9,11H2,(H,30,31)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...				J Med Chem 63: 6107-6133 (2020) Article DOI: 10.1021/acs.jmedchem.0c00361 BindingDB Entry DOI: 10.7270/Q2V69P5C
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50545558 (CHEMBL4642748) Show SMILES FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)-n1ccnn1 |r| Show InChI InChI=1S/C21H16F3N5O3S2/c22-21(23,24)13-1-3-16(18(11-13)29-8-6-26-28-29)15-5-9-32-19-12-14(2-4-17(15)19)34(30,31)27-20-25-7-10-33-20/h1-4,6-8,10-12,15H,5,9H2,(H,25,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...				J Med Chem 63: 6107-6133 (2020) Article DOI: 10.1021/acs.jmedchem.0c00361 BindingDB Entry DOI: 10.7270/Q2V69P5C
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371776 ((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...) Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r| Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair

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