Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50010665   

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
Exportin-1 (Homo sapiens (Human))	BDBM50245464 (CHEBI:52646 | LEPTOMYCIN B) Show SMILES CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O |r,c:9| Show InChI InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-University G£ttingen Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...				J Med Chem 63: 7545-7558 (2020) Article DOI: 10.1021/acs.jmedchem.0c00143 BindingDB Entry DOI: 10.7270/Q23B63PG
					More data for this Ligand-Target Pair
Exportin-1 (Homo sapiens (Human))	BDBM50540955 (CHEMBL1450050) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c(o1)N(C)C)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O6S/c1-23(2)20-19(30(24,25)14-8-6-13(21)7-9-14)22-18(29-20)12-10-15(26-3)17(28-5)16(11-12)27-4/h6-11H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-University G£ttingen Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...				J Med Chem 63: 7545-7558 (2020) Article DOI: 10.1021/acs.jmedchem.0c00143 BindingDB Entry DOI: 10.7270/Q23B63PG
					More data for this Ligand-Target Pair
Exportin-1 (Homo sapiens (Human))	BDBM50540956 (CHEMBL4637077) Show SMILES COc1cc2cnsc2s1 Show InChI InChI=1S/C6H5NOS2/c1-8-5-2-4-3-7-10-6(4)9-5/h2-3H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-University G£ttingen Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...				J Med Chem 63: 7545-7558 (2020) Article DOI: 10.1021/acs.jmedchem.0c00143 BindingDB Entry DOI: 10.7270/Q23B63PG
					More data for this Ligand-Target Pair
Exportin-1 (Homo sapiens (Human))	BDBM50540954 (CHEMBL4645904) Show SMILES NC(=O)c1c(NC(NC(=O)c2ccccc2F)(C(F)(F)F)C(F)(F)F)sc2CCCCc12 Show InChI InChI=1S/C19H16F7N3O2S/c20-11-7-3-1-5-9(11)15(31)28-17(18(21,22)23,19(24,25)26)29-16-13(14(27)30)10-6-2-4-8-12(10)32-16/h1,3,5,7,29H,2,4,6,8H2,(H2,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-University G£ttingen Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...				J Med Chem 63: 7545-7558 (2020) Article DOI: 10.1021/acs.jmedchem.0c00143 BindingDB Entry DOI: 10.7270/Q23B63PG
					More data for this Ligand-Target Pair
Exportin-1 (Homo sapiens (Human))	BDBM50317384 (CHEMBL1096042 | ethyl 5-(4-nitrophenyl)-4,6-dioxo-...) Show SMILES CCOC(=O)c1n[nH]c2C(=O)N(C(=O)c12)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C14H10N4O6/c1-2-24-14(21)11-9-10(15-16-11)13(20)17(12(9)19)7-3-5-8(6-4-7)18(22)23/h3-6H,2H2,1H3,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-University G£ttingen Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...				J Med Chem 63: 7545-7558 (2020) Article DOI: 10.1021/acs.jmedchem.0c00143 BindingDB Entry DOI: 10.7270/Q23B63PG
					More data for this Ligand-Target Pair