Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 1' and Ligand = 'BDBM459474'   

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
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459474 (US10752635, Example 25 | US11492354, Example 25) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(CCO)ncc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C26H25F2N7O3/c1-38-21-4-2-3-17(27)22(21)25-29-6-5-19(32-25)26(37)33-20-10-18(28)23-16(12-31-35(23)7-8-36)24(20)34-13-14-9-15(34)11-30-14/h2-6,10,12,14-15,30,36H,7-9,11,13H2,1H3,(H,33,37)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Q81HW4
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM459474 (US10752635, Example 25 | US11492354, Example 25) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(CCO)ncc2c1N1C[C@@H]2C[C@H]1CN2 |r| Show InChI InChI=1S/C26H25F2N7O3/c1-38-21-4-2-3-17(27)22(21)25-29-6-5-19(32-25)26(37)33-20-10-18(28)23-16(12-31-35(23)7-8-36)24(20)34-13-14-9-15(34)11-30-14/h2-6,10,12,14-15,30,36H,7-9,11,13H2,1H3,(H,33,37)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US9540323 (2017) BindingDB Entry DOI: 10.7270/Q2M61J7D
					More data for this Ligand-Target Pair