Compile Data Set for Download or QSAR

Found 527 hits with Last Name = 'min' and Initial = 'x'   

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
Eukaryotic translation initiation factor 4E (Homo sapiens (Human))	BDBM50316302 (((2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-...) Show SMILES C[n+]1cn([C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 |r| Show InChI InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/t4-,6-,7-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Competitive inhibition of [3H]m7-GTP binding to human FLAG-His6 tagged eIF4E expressed in Escherichia coli by scintillation proximity assay				J Med Chem 55: 3837-51 (2012) Article DOI: 10.1021/jm300037x BindingDB Entry DOI: 10.7270/Q27082GX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50343835 ((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/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 Patents Similars	PDB Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018554 (CHEMBL3290682) Show SMILES C[C@@H](NC1=C(C(N(Cc2cccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C31H26BrN3O2/c1-21(23-10-4-2-5-11-23)34-28-27(30(36)25-12-6-3-7-13-25)29(24-14-16-26(32)17-15-24)35(31(28)37)20-22-9-8-18-33-19-22/h2-19,21,29,34H,20H2,1H3/t21-,29?/m1/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	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018543 (CHEMBL3290677) Show SMILES CC(C)Oc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(N[C@H](C)c2ccccc2)C1=O)c1ccc(Br)cc1)C(F)(F)F |r,t:23| Show InChI InChI=1S/C36H32BrF3N2O3/c1-22(2)45-30-20-28(36(38,39)40)17-14-27(30)21-42-33(25-15-18-29(37)19-16-25)31(34(43)26-12-8-5-9-13-26)32(35(42)44)41-23(3)24-10-6-4-7-11-24/h4-20,22-23,33,41H,21H2,1-3H3/t23-,33?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018555 (CHEMBL3290683) Show SMILES C[C@@H](NC1=C(C(N(CCCn2ccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C31H29BrN4O2/c1-22(23-9-4-2-5-10-23)34-28-27(30(37)25-11-6-3-7-12-25)29(24-13-15-26(32)16-14-24)36(31(28)38)19-8-18-35-20-17-33-21-35/h2-7,9-17,20-22,29,34H,8,18-19H2,1H3/t22-,29?/m1/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	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50438113 (CHEMBL1092481) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018541 (CHEMBL2180122) Show SMILES CC(C)OC1=C(C(N(CCCn2ccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C26H26BrN3O3/c1-18(2)33-25-22(24(31)20-7-4-3-5-8-20)23(19-9-11-21(27)12-10-19)30(26(25)32)15-6-14-29-16-13-28-17-29/h3-5,7-13,16-18,23H,6,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018540 (CHEMBL3290675) Show SMILES CC(C)OC1=C(C(N(Cc2cccnc2)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C26H23BrN2O3/c1-17(2)32-25-22(24(30)20-8-4-3-5-9-20)23(19-10-12-21(27)13-11-19)29(26(25)31)16-18-7-6-14-28-15-18/h3-15,17,23H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50312869 (4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50438113 (CHEMBL1092481) Show SMILES CCCCCCCCCCCCc1ccc(cc1)C(=O)NC1(CC1)C(N)=N Show InChI InChI=1S/C23H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)21(27)26-23(17-18-23)22(24)25/h13-16H,2-12,17-18H2,1H3,(H3,24,25)(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018537 (CHEMBL3290672) Show SMILES COc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(OC(C)C)C1=O)c1ccc(Br)cc1)C(F)(F)F |t:21| Show InChI InChI=1S/C29H25BrF3NO4/c1-17(2)38-27-24(26(35)19-7-5-4-6-8-19)25(18-10-13-22(30)14-11-18)34(28(27)36)16-20-9-12-21(29(31,32)33)15-23(20)37-3/h4-15,17,25H,16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018536 (CHEMBL3290671) Show SMILES CCOc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(OC(C)C)C1=O)c1ccc(Br)cc1)C(F)(F)F |t:22| Show InChI InChI=1S/C30H27BrF3NO4/c1-4-38-24-16-22(30(32,33)34)13-10-21(24)17-35-26(19-11-14-23(31)15-12-19)25(28(29(35)37)39-18(2)3)27(36)20-8-6-5-7-9-20/h5-16,18,26H,4,17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018534 (CHEMBL3290670) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2OC(C)(C)C)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C32H31BrF3NO4/c1-19(2)40-29-26(28(38)21-9-7-6-8-10-21)27(20-12-15-24(33)16-13-20)37(30(29)39)18-22-11-14-23(32(34,35)36)17-25(22)41-31(3,4)5/h6-17,19,27H,18H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50299323 ((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r| Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018539 (CHEMBL3290674) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C28H23BrF3NO3/c1-17(2)36-26-23(25(34)20-6-4-3-5-7-20)24(19-10-14-22(29)15-11-19)33(27(26)35)16-18-8-12-21(13-9-18)28(30,31)32/h3-15,17,24H,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018547 (CHEMBL3290678) Show SMILES CCOc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(N[C@H](C)c2ccccc2)C1=O)c1ccc(Br)cc1)C(F)(F)F |r,t:22| Show InChI InChI=1S/C35H30BrF3N2O3/c1-3-44-29-20-27(35(37,38)39)17-14-26(29)21-41-32(24-15-18-28(36)19-16-24)30(33(42)25-12-8-5-9-13-25)31(34(41)43)40-22(2)23-10-6-4-7-11-23/h4-20,22,32,40H,3,21H2,1-2H3/t22-,32?/m1/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	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50343835 ((S)-1-(4-(4-(3-(2-Cyclohexylethyl)phenyl)oxazol-2-...) Show SMILES NC(=N)[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1nc(co1)-c1cccc(CCC2CCCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O2/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018542 (CHEMBL3290676) Show SMILES C[C@@H](NC1=C(C(N(Cc2ccc(cc2OC(C)(C)C)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C37H34BrF3N2O3/c1-23(24-11-7-5-8-12-24)42-32-31(34(44)26-13-9-6-10-14-26)33(25-16-19-29(38)20-17-25)43(35(32)45)22-27-15-18-28(37(39,40)41)21-30(27)46-36(2,3)4/h5-21,23,33,42H,22H2,1-4H3/t23-,33?/m1/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	8.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50393642 (CHEMBL2158685) Show SMILES Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13| Show InChI InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Sphingosine kinase 1 (Homo sapiens (Human))	BDBM50438114 (CHEMBL2409758) Show SMILES CCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C16H25NO2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16(19)15(12-18)17-2/h6-11,15-19H,3-5,12H2,1-2H3/b11-10+/t15-,16+/m1/s1	PDB UniProtKB/SwissProt 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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50299323 ((S)-2-amino-4-hydroxy-N-(4-octylphenyl)butanamide ...) Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCO)cc1 |r| Show InChI InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-18(22)17(19)13-14-21/h9-12,17,21H,2-8,13-14,19H2,1H3,(H,20,22)/t17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018552 (CHEMBL3290681) Show SMILES C[C@@H](NC1=C(C(N(Cc2ccc(cc2)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C33H26BrF3N2O2/c1-21(23-8-4-2-5-9-23)38-29-28(31(40)25-10-6-3-7-11-25)30(24-14-18-27(34)19-15-24)39(32(29)41)20-22-12-16-26(17-13-22)33(35,36)37/h2-19,21,30,38H,20H2,1H3/t21-,30?/m1/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	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Sphingosine kinase 2 (Homo sapiens (Human))	BDBM50438114 (CHEMBL2409758) Show SMILES CCCCc1ccc(\C=C\[C@H](O)[C@@H](CO)NC)cc1 |r| Show InChI InChI=1S/C16H25NO2/c1-3-4-5-13-6-8-14(9-7-13)10-11-16(19)15(12-18)17-2/h6-11,15-19H,3-5,12H2,1-2H3/b11-10+/t15-,16+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting				Bioorg Med Chem Lett 23: 4608-16 (2013) Article DOI: 10.1016/j.bmcl.2013.06.030 BindingDB Entry DOI: 10.7270/Q2736SB3
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018549 (CHEMBL3290680) Show SMILES C[C@@H](NC1=C(C(N(Cc2ccc(cc2F)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 |r,t:3| Show InChI InChI=1S/C33H25BrF4N2O2/c1-20(21-8-4-2-5-9-21)39-29-28(31(41)23-10-6-3-7-11-23)30(22-13-16-26(34)17-14-22)40(32(29)42)19-24-12-15-25(18-27(24)35)33(36,37)38/h2-18,20,30,39H,19H2,1H3/t20-,30?/m1/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018548 (CHEMBL3290679) Show SMILES COc1cc(ccc1CN1C(C(C(=O)c2ccccc2)=C(N[C@H](C)c2ccccc2)C1=O)c1ccc(Br)cc1)C(F)(F)F |r,t:21| Show InChI InChI=1S/C34H28BrF3N2O3/c1-21(22-9-5-3-6-10-22)39-30-29(32(41)24-11-7-4-8-12-24)31(23-14-17-27(35)18-15-23)40(33(30)42)20-25-13-16-26(34(36,37)38)19-28(25)43-2/h3-19,21,31,39H,20H2,1-2H3/t21-,31?/m1/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018538 (CHEMBL3290673) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2F)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C28H22BrF4NO3/c1-16(2)37-26-23(25(35)18-6-4-3-5-7-18)24(17-9-12-21(29)13-10-17)34(27(26)36)15-19-8-11-20(14-22(19)30)28(31,32)33/h3-14,16,24H,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50018535 (CHEMBL3290669) Show SMILES CC(C)OC1=C(C(N(Cc2ccc(cc2OC(C)C)C(F)(F)F)C1=O)c1ccc(Br)cc1)C(=O)c1ccccc1 |t:4| Show InChI InChI=1S/C31H29BrF3NO4/c1-18(2)39-25-16-23(31(33,34)35)13-10-22(25)17-36-27(20-11-14-24(32)15-12-20)26(29(30(36)38)40-19(3)4)28(37)21-8-6-5-7-9-21/h5-16,18-19,27H,17H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay				Bioorg Med Chem Lett 24: 2648-50 (2014) Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50280116 (CHEMBL4177355) Show SMILES [H][C@@]12CN([C@@H](CCc3c(F)cncc3NC(=O)[C@@H](N)[C@@H](c3ccc(Cl)cc3)c3cc(F)cc(F)c3)CN1)S(=O)(=O)CCC2 |r| Show InChI InChI=1S/C29H31ClF3N5O3S/c30-19-5-3-17(4-6-19)27(18-10-20(31)12-21(32)11-18)28(34)29(39)37-26-15-35-14-25(33)24(26)8-7-23-13-36-22-2-1-9-42(40,41)38(23)16-22/h3-6,10-12,14-15,22-23,27-28,36H,1-2,7-9,13,16,34H2,(H,37,39)/t22-,23+,27+,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of GAR transformylase from Lactobacillus casei				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450601 (CHEMBL4162835) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C167H245N49O40S6/c1-9-11-36-104-144(236)206-121(71-93-76-187-103-40-19-15-35-98(93)103)156(248)216-135(88(8)218)164(256)215-129-84-262-258-80-125-158(250)197-108(44-23-27-61-171)145(237)204-117(66-86(5)6)151(243)207-120(70-92-75-186-102-39-18-14-34-97(92)102)154(246)213-126(159(251)198-110(46-29-63-182-166(177)178)143(235)191-105(41-20-24-58-168)142(234)200-114(54-57-133(224)225)149(241)202-115(136(174)228)68-90-73-184-100-37-16-12-32-95(90)100)81-259-257-79-124(210-137(229)87(7)189-140(232)109(45-28-62-181-165(175)176)193-141(233)106(42-21-25-59-169)196-157(249)123(78-217)209-155(247)122(72-134(226)227)208-162(129)254)163(255)214-128(160(252)199-112(53-56-132(222)223)139(231)188-77-131(221)190-116(65-85(3)4)150(242)195-111(147(239)211-125)47-30-64-183-167(179)180)83-261-260-82-127(212-152(244)118(203-138(230)99(172)31-10-2)67-89-48-50-94(219)51-49-89)161(253)201-113(52-55-130(173)220)148(240)192-107(43-22-26-60-170)146(238)205-119(153(245)194-104)69-91-74-185-101-38-17-13-33-96(91)101/h2,12-19,32-35,37-40,48-51,73-76,85-88,99,104-129,135,184-187,217-219H,9,11,20-31,36,41-47,52-72,77-84,168-172H2,1,3-8H3,(H2,173,220)(H2,174,228)(H,188,231)(H,189,232)(H,190,221)(H,191,235)(H,192,240)(H,193,233)(H,194,245)(H,195,242)(H,196,249)(H,197,250)(H,198,251)(H,199,252)(H,200,234)(H,201,253)(H,202,241)(H,203,230)(H,204,237)(H,205,238)(H,206,236)(H,207,243)(H,208,254)(H,209,247)(H,210,229)(H,211,239)(H,212,244)(H,213,246)(H,214,255)(H,215,256)(H,216,248)(H,222,223)(H,224,225)(H,226,227)(H4,175,176,181)(H4,177,178,182)(H4,179,180,183)/t87-,88+,99-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,135-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450604 (CHEMBL4163942) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H244N48O40S6/c1-9-11-38-102-142(233)203-119(72-93-76-184-101-41-20-17-37-97(93)101)154(245)213-133(88(8)215)162(253)212-127-84-259-255-80-123-156(247)194-106(45-24-28-62-169)143(234)201-115(67-86(5)6)149(240)204-118(71-92-75-183-100-40-19-16-36-96(92)100)152(243)210-124(157(248)195-108(47-30-64-180-164(175)176)141(232)188-103(42-21-25-59-166)140(231)197-112(55-58-131(221)222)147(238)199-113(134(172)225)68-89-33-13-12-14-34-89)81-256-254-79-122(207-135(226)87(7)186-138(229)107(46-29-63-179-163(173)174)190-139(230)104(43-22-26-60-167)193-155(246)121(78-214)206-153(244)120(73-132(223)224)205-160(127)251)161(252)211-126(158(249)196-110(54-57-130(219)220)137(228)185-77-129(218)187-114(66-85(3)4)148(239)192-109(145(236)208-123)48-31-65-181-165(177)178)83-258-257-82-125(209-150(241)116(200-136(227)98(170)32-10-2)69-90-49-51-94(216)52-50-90)159(250)198-111(53-56-128(171)217)146(237)189-105(44-23-27-61-168)144(235)202-117(151(242)191-102)70-91-74-182-99-39-18-15-35-95(91)99/h2,12-20,33-37,39-41,49-52,74-76,85-88,98,102-127,133,182-184,214-216H,9,11,21-32,38,42-48,53-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,238)(H,200,227)(H,201,234)(H,202,235)(H,203,233)(H,204,240)(H,205,251)(H,206,244)(H,207,226)(H,208,236)(H,209,241)(H,210,243)(H,211,252)(H,212,253)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450580 (CHEMBL4169884) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C162H245BrN48O40S6/c1-11-14-33-99-139(231)200-115(66-88-71-181-97-35-18-16-32-93(88)97)151(243)211-130(85(10)213)159(251)209-123-80-257-253-76-119-153(245)192-103(39-22-26-58-167)140(232)198-111(63-82(6)7)146(238)201-114(67-89-72-182-98-48-45-90(163)68-94(89)98)149(241)207-120(154(246)193-105(41-28-60-178-161(173)174)138(230)186-100(36-19-23-55-164)137(229)195-109(51-54-127(219)220)144(236)210-129(131(170)223)83(8)13-3)77-254-252-75-118(204-132(224)84(9)184-135(227)104(40-27-59-177-160(171)172)188-136(228)101(37-20-24-56-165)191-152(244)117(74-212)203-150(242)116(69-128(221)222)202-157(123)249)158(250)208-122(155(247)194-107(50-53-126(217)218)134(226)183-73-125(216)185-110(62-81(4)5)145(237)190-106(142(234)205-119)42-29-61-179-162(175)176)79-256-255-78-121(206-147(239)112(197-133(225)95(168)30-12-2)64-86-43-46-91(214)47-44-86)156(248)196-108(49-52-124(169)215)143(235)187-102(38-21-25-57-166)141(233)199-113(148(240)189-99)65-87-70-180-96-34-17-15-31-92(87)96/h2,15-18,31-32,34-35,43-48,68,70-72,81-85,95,99-123,129-130,180-182,212-214H,11,13-14,19-30,33,36-42,49-67,69,73-80,164-168H2,1,3-10H3,(H2,169,215)(H2,170,223)(H,183,226)(H,184,227)(H,185,216)(H,186,230)(H,187,235)(H,188,228)(H,189,240)(H,190,237)(H,191,244)(H,192,245)(H,193,246)(H,194,247)(H,195,229)(H,196,248)(H,197,225)(H,198,232)(H,199,233)(H,200,231)(H,201,238)(H,202,249)(H,203,242)(H,204,224)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,236)(H,211,243)(H,217,218)(H,219,220)(H,221,222)(H4,171,172,177)(H4,173,174,178)(H4,175,176,179)/t83-,84-,85+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450584 (CHEMBL4173743) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C158H243BrN48O41S6/c1-11-14-33-95-136(229)196-110(63-84-68-177-92-35-18-16-32-88(84)92)147(240)207-126(82(10)209)155(248)205-118-77-254-251-73-114-149(242)189-99(39-22-26-56-163)137(230)194-107(61-79(6)7)143(236)197-109(64-85-69-178-93-45-43-86(159)65-89(85)93)145(238)203-116(150(243)190-101(41-28-58-174-157(169)170)135(228)183-96(36-19-23-53-160)134(227)192-105(48-52-123(216)217)141(234)206-125(127(166)220)80(8)13-3)75-252-249-72-113(200-128(221)81(9)180-131(224)100(40-27-57-173-156(167)168)185-133(226)97(37-20-24-54-161)188-148(241)112(71-208)199-146(239)111(66-124(218)219)198-153(118)246)154(247)204-117(151(244)191-103(47-51-122(214)215)130(223)179-70-120(211)181-106(60-78(4)5)142(235)187-102(139(232)202-114)42-29-59-175-158(171)172)76-253-250-74-115(201-132(225)94(30-12-2)182-129(222)90(164)44-50-121(212)213)152(245)193-104(46-49-119(165)210)140(233)184-98(38-21-25-55-162)138(231)195-108(144(237)186-95)62-83-67-176-91-34-17-15-31-87(83)91/h2,15-18,31-32,34-35,43,45,65,67-69,78-82,90,94-118,125-126,176-178,208-209H,11,13-14,19-30,33,36-42,44,46-64,66,70-77,160-164H2,1,3-10H3,(H2,165,210)(H2,166,220)(H,179,223)(H,180,224)(H,181,211)(H,182,222)(H,183,228)(H,184,233)(H,185,226)(H,186,237)(H,187,235)(H,188,241)(H,189,242)(H,190,243)(H,191,244)(H,192,227)(H,193,245)(H,194,230)(H,195,231)(H,196,229)(H,197,236)(H,198,246)(H,199,239)(H,200,221)(H,201,225)(H,202,232)(H,203,238)(H,204,247)(H,205,248)(H,206,234)(H,207,240)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,167,168,173)(H4,169,170,174)(H4,171,172,175)/t80-,81-,82+,90-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,125-,126-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450603 (CHEMBL4159473) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C166H246N48O40S6/c1-9-11-38-104-143(234)204-120(73-94-77-185-102-41-20-17-37-98(94)102)155(246)214-134(89(8)216)163(254)213-128-85-260-256-81-124-157(248)196-108(45-24-28-64-170)144(235)202-116(69-87(5)6)150(241)205-119(72-93-76-184-101-40-19-16-36-97(93)101)153(244)211-125(158(249)197-110(47-30-66-181-165(176)177)142(233)190-105(42-21-25-61-167)141(232)199-114(57-60-132(222)223)147(238)189-103(135(173)226)54-51-90-33-13-12-14-34-90)82-257-255-80-123(208-136(227)88(7)187-139(230)109(46-29-65-180-164(174)175)192-140(231)106(43-22-26-62-168)195-156(247)122(79-215)207-154(245)121(74-133(224)225)206-161(128)252)162(253)212-127(159(250)198-112(56-59-131(220)221)138(229)186-78-130(219)188-115(68-86(3)4)149(240)194-111(146(237)209-124)48-31-67-182-166(178)179)84-259-258-83-126(210-151(242)117(201-137(228)99(171)32-10-2)70-91-49-52-95(217)53-50-91)160(251)200-113(55-58-129(172)218)148(239)191-107(44-23-27-63-169)145(236)203-118(152(243)193-104)71-92-75-183-100-39-18-15-35-96(92)100/h2,12-20,33-37,39-41,49-50,52-53,75-77,86-89,99,103-128,134,183-185,215-217H,9,11,21-32,38,42-48,51,54-74,78-85,167-171H2,1,3-8H3,(H2,172,218)(H2,173,226)(H,186,229)(H,187,230)(H,188,219)(H,189,238)(H,190,233)(H,191,239)(H,192,231)(H,193,243)(H,194,240)(H,195,247)(H,196,248)(H,197,249)(H,198,250)(H,199,232)(H,200,251)(H,201,228)(H,202,235)(H,203,236)(H,204,234)(H,205,241)(H,206,252)(H,207,245)(H,208,227)(H,209,237)(H,210,242)(H,211,244)(H,212,253)(H,213,254)(H,214,246)(H,220,221)(H,222,223)(H,224,225)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t88-,89+,99-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,134-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450606 (CHEMBL4175995) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C164H248N48O40S6/c1-9-12-39-101-141(232)200-116(71-92-75-183-100-42-21-18-38-96(92)100)152(243)211-131(87(8)214)160(251)209-124-83-258-254-79-120-154(245)193-105(46-25-29-63-168)145(236)212-132(89-34-14-13-15-35-89)161(252)202-115(70-91-74-182-99-41-20-17-37-95(91)99)150(241)207-121(155(246)194-107(48-31-65-179-163(174)175)140(231)187-102(43-22-26-60-165)139(230)196-111(56-59-128(220)221)146(237)210-130(133(171)224)85(6)11-3)80-255-253-78-119(204-134(225)86(7)185-137(228)106(47-30-64-178-162(172)173)189-138(229)103(44-23-27-61-166)192-153(244)118(77-213)203-151(242)117(72-129(222)223)201-158(124)249)159(250)208-123(156(247)195-109(55-58-127(218)219)136(227)184-76-126(217)186-112(67-84(4)5)147(238)191-108(143(234)205-120)49-32-66-180-164(176)177)82-257-256-81-122(206-148(239)113(198-135(226)97(169)33-10-2)68-88-50-52-93(215)53-51-88)157(248)197-110(54-57-125(170)216)144(235)188-104(45-24-28-62-167)142(233)199-114(149(240)190-101)69-90-73-181-98-40-19-16-36-94(90)98/h2,16-21,36-38,40-42,50-53,73-75,84-87,89,97,101-124,130-132,181-183,213-215H,9,11-15,22-35,39,43-49,54-72,76-83,165-169H2,1,3-8H3,(H2,170,216)(H2,171,224)(H,184,227)(H,185,228)(H,186,217)(H,187,231)(H,188,235)(H,189,229)(H,190,240)(H,191,238)(H,192,244)(H,193,245)(H,194,246)(H,195,247)(H,196,230)(H,197,248)(H,198,226)(H,199,233)(H,200,232)(H,201,249)(H,202,252)(H,203,242)(H,204,225)(H,205,234)(H,206,239)(H,207,241)(H,208,250)(H,209,251)(H,210,237)(H,211,243)(H,212,236)(H,218,219)(H,220,221)(H,222,223)(H4,172,173,178)(H4,174,175,179)(H4,176,177,180)/t85-,86-,87+,97-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,130-,131-,132-/m0/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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450583 (CHEMBL4174312) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C157H238BrN47O43S6/c1-11-14-31-93-134(228)194-108(61-82-66-175-90-33-18-16-30-86(82)90)146(240)205-125(80(10)207)154(248)203-116-75-254-251-71-112-148(242)186-96(36-21-24-54-161)135(229)192-105(59-77(6)7)142(236)195-107(62-83-67-176-91-42-40-84(158)63-87(83)91)144(238)201-114(149(243)187-98(38-26-56-172-156(167)168)133(227)181-94(34-19-22-52-159)132(226)189-103(46-51-122(216)217)140(234)204-124(126(164)220)78(8)13-3)73-252-249-70-111(198-127(221)79(9)178-130(224)97(37-25-55-171-155(165)166)183-139(233)102(45-50-121(214)215)190-147(241)110(69-206)197-145(239)109(64-123(218)219)196-152(116)246)153(247)202-115(150(244)188-100(44-49-120(212)213)129(223)177-68-118(209)179-104(58-76(4)5)141(235)185-99(137(231)200-112)39-27-57-173-157(169)170)74-253-250-72-113(199-131(225)92(28-12-2)180-128(222)88(162)41-48-119(210)211)151(245)191-101(43-47-117(163)208)138(232)182-95(35-20-23-53-160)136(230)193-106(143(237)184-93)60-81-65-174-89-32-17-15-29-85(81)89/h2,15-18,29-30,32-33,40,42,63,65-67,76-80,88,92-116,124-125,174-176,206-207H,11,13-14,19-28,31,34-39,41,43-62,64,68-75,159-162H2,1,3-10H3,(H2,163,208)(H2,164,220)(H,177,223)(H,178,224)(H,179,209)(H,180,222)(H,181,227)(H,182,232)(H,183,233)(H,184,237)(H,185,235)(H,186,242)(H,187,243)(H,188,244)(H,189,226)(H,190,241)(H,191,245)(H,192,229)(H,193,230)(H,194,228)(H,195,236)(H,196,246)(H,197,239)(H,198,221)(H,199,225)(H,200,231)(H,201,238)(H,202,247)(H,203,248)(H,204,234)(H,205,240)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,165,166,171)(H4,167,168,172)(H4,169,170,173)/t78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,124-,125-/m0/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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450593 (CHEMBL4164272) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C162H246N48O40S6/c1-11-14-36-99-139(230)199-115(69-90-73-181-98-39-20-17-35-94(90)98)151(242)210-130(86(10)212)159(250)208-123-81-256-252-77-119-153(244)191-103(43-24-28-60-166)140(231)197-111(65-83(6)7)146(237)200-114(68-89-72-180-97-38-19-16-34-93(89)97)149(240)206-120(154(245)192-105(45-30-62-177-161(172)173)138(229)185-100(40-21-25-57-163)137(228)194-109(53-56-127(218)219)144(235)209-129(131(169)222)84(8)13-3)78-253-251-76-118(203-132(223)85(9)183-135(226)104(44-29-61-176-160(170)171)187-136(227)101(41-22-26-58-164)190-152(243)117(75-211)202-150(241)116(70-128(220)221)201-157(123)248)158(249)207-122(155(246)193-107(52-55-126(216)217)134(225)182-74-125(215)184-110(64-82(4)5)145(236)189-106(142(233)204-119)46-31-63-178-162(174)175)80-255-254-79-121(205-147(238)112(196-133(224)95(167)32-12-2)66-87-47-49-91(213)50-48-87)156(247)195-108(51-54-124(168)214)143(234)186-102(42-23-27-59-165)141(232)198-113(148(239)188-99)67-88-71-179-96-37-18-15-33-92(88)96/h2,15-20,33-35,37-39,47-50,71-73,82-86,95,99-123,129-130,179-181,211-213H,11,13-14,21-32,36,40-46,51-70,74-81,163-167H2,1,3-10H3,(H2,168,214)(H2,169,222)(H,182,225)(H,183,226)(H,184,215)(H,185,229)(H,186,234)(H,187,227)(H,188,239)(H,189,236)(H,190,243)(H,191,244)(H,192,245)(H,193,246)(H,194,228)(H,195,247)(H,196,224)(H,197,231)(H,198,232)(H,199,230)(H,200,237)(H,201,248)(H,202,241)(H,203,223)(H,204,233)(H,205,238)(H,206,240)(H,207,249)(H,208,250)(H,209,235)(H,210,242)(H,216,217)(H,218,219)(H,220,221)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,129-,130-/m0/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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450596 (CHEMBL4168880) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C161H247N47O40S6/c1-11-14-38-98-139(229)197-114(71-91-74-179-97-40-21-19-37-94(91)97)150(240)208-129(87(10)210)158(248)206-122-82-254-250-78-118-152(242)189-102(44-25-29-63-165)140(230)196-111(68-84(6)7)146(236)198-113(70-90-73-178-96-39-20-18-36-93(90)96)148(238)204-119(153(243)190-104(46-31-65-176-160(171)172)138(228)184-99(41-22-26-60-162)137(227)193-109(56-59-126(216)217)144(234)207-128(130(168)220)85(8)13-3)79-251-249-77-117(201-131(221)86(9)181-134(224)103(45-30-64-175-159(169)170)186-135(225)101(43-24-28-62-164)188-151(241)116(76-209)200-149(239)115(72-127(218)219)199-156(122)246)157(247)205-121(154(244)191-106(55-58-125(214)215)133(223)180-75-124(213)182-110(67-83(4)5)145(235)187-105(141(231)202-118)47-32-66-177-161(173)174)81-253-252-80-120(203-147(237)112(195-132(222)95(166)33-12-2)69-89-48-51-92(211)52-49-89)155(245)194-108(54-57-123(167)212)143(233)185-100(42-23-27-61-163)136(226)192-107(142(232)183-98)53-50-88-34-16-15-17-35-88/h2,15-21,34-37,39-40,48-49,51-52,73-74,83-87,95,98-122,128-129,178-179,209-211H,11,13-14,22-33,38,41-47,50,53-72,75-82,162-166H2,1,3-10H3,(H2,167,212)(H2,168,220)(H,180,223)(H,181,224)(H,182,213)(H,183,232)(H,184,228)(H,185,233)(H,186,225)(H,187,235)(H,188,241)(H,189,242)(H,190,243)(H,191,244)(H,192,226)(H,193,227)(H,194,245)(H,195,222)(H,196,230)(H,197,229)(H,198,236)(H,199,246)(H,200,239)(H,201,221)(H,202,231)(H,203,237)(H,204,238)(H,205,247)(H,206,248)(H,207,234)(H,208,240)(H,214,215)(H,216,217)(H,218,219)(H4,169,170,175)(H4,171,172,176)(H4,173,174,177)/t85-,86-,87+,95-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450602 (CHEMBL4167379) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H250N48O40S6/c1-9-11-38-102-142(233)203-119(72-93-76-184-101-41-20-17-37-97(93)101)154(245)213-133(88(8)215)162(253)212-127-84-259-255-80-123-156(247)194-106(45-24-28-62-169)143(234)201-115(67-86(5)6)149(240)204-118(71-92-75-183-100-40-19-16-36-96(92)100)152(243)210-124(157(248)195-108(47-30-64-180-164(175)176)141(232)188-103(42-21-25-59-166)140(231)197-112(55-58-131(221)222)147(238)199-113(134(172)225)68-89-33-13-12-14-34-89)81-256-254-79-122(207-135(226)87(7)186-138(229)107(46-29-63-179-163(173)174)190-139(230)104(43-22-26-60-167)193-155(246)121(78-214)206-153(244)120(73-132(223)224)205-160(127)251)161(252)211-126(158(249)196-110(54-57-130(219)220)137(228)185-77-129(218)187-114(66-85(3)4)148(239)192-109(145(236)208-123)48-31-65-181-165(177)178)83-258-257-82-125(209-150(241)116(200-136(227)98(170)32-10-2)69-90-49-51-94(216)52-50-90)159(250)198-111(53-56-128(171)217)146(237)189-105(44-23-27-61-168)144(235)202-117(151(242)191-102)70-91-74-182-99-39-18-15-35-95(91)99/h2,15-20,35-37,39-41,49-52,74-76,85-89,98,102-127,133,182-184,214-216H,9,11-14,21-34,38,42-48,53-73,77-84,166-170H2,1,3-8H3,(H2,171,217)(H2,172,225)(H,185,228)(H,186,229)(H,187,218)(H,188,232)(H,189,237)(H,190,230)(H,191,242)(H,192,239)(H,193,246)(H,194,247)(H,195,248)(H,196,249)(H,197,231)(H,198,250)(H,199,238)(H,200,227)(H,201,234)(H,202,235)(H,203,233)(H,204,240)(H,205,251)(H,206,244)(H,207,226)(H,208,236)(H,209,241)(H,210,243)(H,211,252)(H,212,253)(H,213,245)(H,219,220)(H,221,222)(H,223,224)(H4,173,174,179)(H4,175,176,180)(H4,177,178,181)/t87-,88+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190623 (CHEMBL3828743) Show SMILES N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450581 (CHEMBL4159169) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@@H](N)CCC(O)=O |r| Show InChI InChI=1S/C155H236BrN47O41S6/c1-12-15-32-93-133(225)192-107(60-82-65-173-90-34-19-17-31-86(82)90)144(236)203-123(80(11)205)152(244)201-115-74-250-247-70-111-146(238)185-96(37-22-25-53-159)134(226)190-104(58-76(6)7)140(232)193-106(61-83-66-174-91-43-41-84(156)62-87(83)91)142(234)199-113(147(239)186-98(39-27-55-170-154(165)166)132(224)181-94(35-20-23-51-157)131(223)188-102(46-50-120(212)213)138(230)202-122(124(162)216)77(8)14-3)72-248-245-69-110(196-126(218)79(10)176-129(221)97(38-26-54-169-153(163)164)179-125(217)78(9)177-145(237)109(68-204)195-143(235)108(63-121(214)215)194-150(115)242)151(243)200-114(148(240)187-100(45-49-119(210)211)128(220)175-67-117(207)178-103(57-75(4)5)139(231)184-99(136(228)198-111)40-28-56-171-155(167)168)73-249-246-71-112(197-130(222)92(29-13-2)180-127(219)88(160)42-48-118(208)209)149(241)189-101(44-47-116(161)206)137(229)182-95(36-21-24-52-158)135(227)191-105(141(233)183-93)59-81-64-172-89-33-18-16-30-85(81)89/h2,16-19,30-31,33-34,41,43,62,64-66,75-80,88,92-115,122-123,172-174,204-205H,12,14-15,20-29,32,35-40,42,44-61,63,67-74,157-160H2,1,3-11H3,(H2,161,206)(H2,162,216)(H,175,220)(H,176,221)(H,177,237)(H,178,207)(H,179,217)(H,180,219)(H,181,224)(H,182,229)(H,183,233)(H,184,231)(H,185,238)(H,186,239)(H,187,240)(H,188,223)(H,189,241)(H,190,226)(H,191,227)(H,192,225)(H,193,232)(H,194,242)(H,195,235)(H,196,218)(H,197,222)(H,198,228)(H,199,234)(H,200,243)(H,201,244)(H,202,230)(H,203,236)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,163,164,169)(H4,165,166,170)(H4,167,168,171)/t77-,78-,79-,80+,88-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,122-,123-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190623 (CHEMBL3828743) Show SMILES N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of wild-type HIV1 protease expressed in Escherichia coli assessed as reduction in product formation preincubated for 30 mins followed by a...				ACS Med Chem Lett 7: 702-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00135 BindingDB Entry DOI: 10.7270/Q28W3G74
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450615 (CHEMBL4167376) Show SMILES CCCC[C@@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C161H246BrN47O40S6/c1-11-14-35-98-139(230)198-114(68-89-72-179-96-36-19-18-34-93(89)96)150(241)209-129(86(10)211)158(249)207-122-81-255-251-77-118-152(243)190-102(40-23-27-61-166)140(231)197-111(66-83(6)7)146(237)199-113(69-90-73-180-97-51-47-91(162)70-94(90)97)148(239)205-119(153(244)191-104(42-29-63-177-160(172)173)138(229)185-99(37-20-24-58-163)137(228)194-109(54-57-126(217)218)144(235)208-128(130(169)221)84(8)13-3)78-252-250-76-117(202-131(222)85(9)182-134(225)103(41-28-62-176-159(170)171)187-135(226)101(39-22-26-60-165)189-151(242)116(75-210)201-149(240)115(71-127(219)220)200-156(122)247)157(248)206-121(154(245)192-106(53-56-125(215)216)133(224)181-74-124(214)183-110(65-82(4)5)145(236)188-105(141(232)203-118)43-30-64-178-161(174)175)80-254-253-79-120(204-147(238)112(196-132(223)95(167)31-12-2)67-88-44-48-92(212)49-45-88)155(246)195-108(52-55-123(168)213)143(234)186-100(38-21-25-59-164)136(227)193-107(142(233)184-98)50-46-87-32-16-15-17-33-87/h2,15-19,32-34,36,44-45,47-49,51,70,72-73,82-86,95,98-122,128-129,179-180,210-212H,11,13-14,20-31,35,37-43,46,50,52-69,71,74-81,163-167H2,1,3-10H3,(H2,168,213)(H2,169,221)(H,181,224)(H,182,225)(H,183,214)(H,184,233)(H,185,229)(H,186,234)(H,187,226)(H,188,236)(H,189,242)(H,190,243)(H,191,244)(H,192,245)(H,193,227)(H,194,228)(H,195,246)(H,196,223)(H,197,231)(H,198,230)(H,199,237)(H,200,247)(H,201,240)(H,202,222)(H,203,232)(H,204,238)(H,205,239)(H,206,248)(H,207,249)(H,208,235)(H,209,241)(H,215,216)(H,217,218)(H,219,220)(H4,170,171,176)(H4,172,173,177)(H4,174,175,178)/t84-,85-,86+,95-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50244890 (CHEMBL472535 | N-(2-fluorophenyl)-4-(3-phenyl-1,2,...) Show SMILES Fc1ccccc1NC(=O)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C19H18FN5OS/c20-15-8-4-5-9-16(15)21-18(26)24-10-12-25(13-11-24)19-22-17(23-27-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,26)	PDB UniProtKB/SwissProt 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
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin				Bioorg Med Chem Lett 21: 2492-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.052 BindingDB Entry DOI: 10.7270/Q2BG2P9M
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450612 (CHEMBL4160269) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)NC(=O)[C@H](CC#C)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C156H241BrN48O39S6/c1-12-15-34-94-134(225)194-109(62-84-67-175-91-36-19-17-33-88(84)91)145(236)205-124(82(11)207)153(244)203-117-76-250-247-72-113-147(238)187-98(40-23-27-55-161)135(226)192-106(60-78(6)7)141(232)195-108(63-85-68-176-92-45-44-86(157)64-89(85)92)143(234)201-115(148(239)188-100(42-29-57-172-155(167)168)133(224)181-95(37-20-24-52-158)132(223)190-104(48-51-121(212)213)139(230)204-123(125(164)216)79(8)14-3)74-248-245-71-112(198-127(218)81(10)178-129(220)99(41-28-56-171-154(165)166)183-131(222)96(38-21-25-53-159)186-146(237)111(70-206)197-144(235)110(65-122(214)215)196-151(117)242)152(243)202-116(149(240)189-102(47-50-120(210)211)128(219)177-69-119(209)179-105(59-77(4)5)140(231)185-101(137(228)200-113)43-30-58-173-156(169)170)75-249-246-73-114(199-130(221)93(31-13-2)180-126(217)80(9)162)150(241)191-103(46-49-118(163)208)138(229)182-97(39-22-26-54-160)136(227)193-107(142(233)184-94)61-83-66-174-90-35-18-16-32-87(83)90/h2,16-19,32-33,35-36,44-45,64,66-68,77-82,93-117,123-124,174-176,206-207H,12,14-15,20-31,34,37-43,46-63,65,69-76,158-162H2,1,3-11H3,(H2,163,208)(H2,164,216)(H,177,219)(H,178,220)(H,179,209)(H,180,217)(H,181,224)(H,182,229)(H,183,222)(H,184,233)(H,185,231)(H,186,237)(H,187,238)(H,188,239)(H,189,240)(H,190,223)(H,191,241)(H,192,226)(H,193,227)(H,194,225)(H,195,232)(H,196,242)(H,197,235)(H,198,218)(H,199,221)(H,200,228)(H,201,234)(H,202,243)(H,203,244)(H,204,230)(H,205,236)(H,210,211)(H,212,213)(H,214,215)(H4,165,166,171)(H4,167,168,172)(H4,169,170,173)/t79-,80-,81-,82+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,123-,124-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50339871 ((S)-3-(1-(4-(5-chlorothiophen-2-yl)pyrimidin-2-yl)...) Show SMILES CCn1c2cccnc2n([C@H]2CCCN(C2)c2nccc(n2)-c2ccc(Cl)s2)c1=O |r| Show InChI InChI=1S/C21H21ClN6OS/c1-2-27-16-6-3-10-23-19(16)28(21(27)29)14-5-4-12-26(13-14)20-24-11-9-15(25-20)17-7-8-18(22)30-17/h3,6-11,14H,2,4-5,12-13H2,1H3/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human FAAH assessed as hydrolysis of anandamidoaminomethylcumarin				Bioorg Med Chem Lett 21: 2492-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.052 BindingDB Entry DOI: 10.7270/Q2BG2P9M
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50450585 (CHEMBL4166895) Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccc(Br)cc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC#C |r| Show InChI InChI=1S/C165H243BrN48O40S6/c1-9-11-35-102-142(234)204-119(69-91-74-184-100-37-18-16-34-96(91)100)154(246)214-133(87(8)216)162(254)213-127-83-260-256-79-123-156(248)195-106(41-22-26-60-170)143(235)202-115(65-85(5)6)149(241)205-118(70-92-75-185-101-50-47-93(166)71-97(92)101)152(244)211-124(157(249)196-108(43-28-62-181-164(176)177)141(233)189-103(38-19-23-57-167)140(232)198-112(53-56-131(222)223)147(239)200-113(134(173)226)66-88-31-13-12-14-32-88)80-257-255-78-122(208-135(227)86(7)187-138(230)107(42-27-61-180-163(174)175)191-139(231)104(39-20-24-58-168)194-155(247)121(77-215)207-153(245)120(72-132(224)225)206-160(127)252)161(253)212-126(158(250)197-110(52-55-130(220)221)137(229)186-76-129(219)188-114(64-84(3)4)148(240)193-109(145(237)209-123)44-29-63-182-165(178)179)82-259-258-81-125(210-150(242)116(201-136(228)98(171)30-10-2)67-89-45-48-94(217)49-46-89)159(251)199-111(51-54-128(172)218)146(238)190-105(40-21-25-59-169)144(236)203-117(151(243)192-102)68-90-73-183-99-36-17-15-33-95(90)99/h2,12-18,31-34,36-37,45-50,71,73-75,84-87,98,102-127,133,183-185,215-217H,9,11,19-30,35,38-44,51-70,72,76-83,167-171H2,1,3-8H3,(H2,172,218)(H2,173,226)(H,186,229)(H,187,230)(H,188,219)(H,189,233)(H,190,238)(H,191,231)(H,192,243)(H,193,240)(H,194,247)(H,195,248)(H,196,249)(H,197,250)(H,198,232)(H,199,251)(H,200,239)(H,201,228)(H,202,235)(H,203,236)(H,204,234)(H,205,241)(H,206,252)(H,207,245)(H,208,227)(H,209,237)(H,210,242)(H,211,244)(H,212,253)(H,213,254)(H,214,246)(H,220,221)(H,222,223)(H,224,225)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t86-,87+,98-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,133-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential of -125 mV after 10 mins by patchxpress-based electrophysiology assay				J Med Chem 61: 9500-9512 (2018) Article DOI: 10.1021/acs.jmedchem.8b00736 BindingDB Entry DOI: 10.7270/Q20C4ZB0
					More data for this Ligand-Target Pair

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