Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 11583   

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))	BDBM628887 (US20230339896, Example 5) Show SMILES CN1CCc2cc(F)c(Nc3ncc(Cl)c(n3)N3C[C@@](C)(CC(O)=O)c4ccccc34)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628884 (US20230339896, Example 2) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1C[C@](C)(CC(O)=O)c2ccccc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628891 (US20230339896, Example 10) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1CC(C)(CC(O)=O)c2ccc(F)cc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628883 (US20230339896, Example 1) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1CC(C)(CC(O)=O)c2ccccc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628886 (US20230339896, Example 4) Show SMILES CN1CCc2cc(F)c(Nc3ncc(Cl)c(n3)N3CC(C)(CC(O)=O)c4ccccc34)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628888 (US20230339896, Example 7) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1CC(C(O)=O)c2ccccc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628890 (US20230339896, Example 9) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1CC(C)(CC(O)=O)c2cc(F)ccc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628889 (US20230339896, Example 8) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1CC(CC(O)=O)c2ccccc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM628885 (US20230339896, Example 3) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(n1)N1C[C@@](C)(CC(O)=O)c2ccccc12 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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