Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'toure' and Initial = 'm'   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126877 BindingDB Entry DOI: 10.7270/Q2TH8R7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM648099 (US20240025922, Example 67) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccnc(c3)C(C)(C)O)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648100 (US20240025922, Example 68) Show SMILES CN1CCc2cc(Nc3cc4CN(CCc4cn3)c3cnc4OCCNc4c3C)nn2CC1=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648101 (US20240025922, Example 69) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648103 (US20240025922, Example 71) Show SMILES COC(=O)Nc1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cc1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648104 (US20240025922, Example 72) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)ccn1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648105 (US20240025922, Example 73) Show SMILES CC(=O)Nc1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cn1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648106 (US20240025922, Example 74) Show SMILES CNC(=O)c1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cc1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648107 (US20240025922, Example 75) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccnc(c3)S(C)(=O)=O)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648108 (US20240025922, Example 76) Show SMILES Cc1c(cnc2OCCNc12)N1CCc2cnc(Nc3ccnc(c3)C3CCOCC3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648109 (US20240025922, Example 77) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccnc(c3)N3CCOCC3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648111 (US20240025922, Example 79) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3cccc(c3)S(C)(=O)=O)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648112 (US20240025922, Example 80) Show SMILES CCc1cc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)ccc1N1CCC(O)CC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648113 (US20240025922, Example 81) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc4CS(=O)(=O)Cc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648114 (US20240025922, Example 82) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3cccc(c3)C(C)(C)O)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648115 (US20240025922, Example 83) Show SMILES COCCOc1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cc1CO Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648116 (US20240025922, Example 84) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc4COCCc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648117 (US20240025922, Example 85) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc4C(=O)NCc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648120 (US20240025922, Example 88) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cnc4OCC(=O)Nc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648122 (US20240025922, Example 90) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(OC[C@@H]4COCCO4)cc3)nc2C1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648124 (US20240025922, Example 92) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc4COCc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648125 (US20240025922, Example 93) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc4COC(C)(C)c4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648127 (US20240025922, Example 95) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cnc4OCCOc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648128 (US20240025922, Example 96) Show SMILES CN1Cc2cc(Nc3ncc4CCN(Cc4n3)c3cnc4OCCNc4c3C)ccc2C1=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648129 (US20240025922, Example 97) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(OCCN4CCOCC4)cc3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648131 (US20240025922, Example 99) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(CN4CCOCC4)cc3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648132 (US20240025922, Example 100) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cc1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648133 (US20240025922, Example 101) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cnc4OCCN(C)c4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648135 (US20240025922, Example 103) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(cc3)N3CCC(CC3)OC(F)(F)F)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648136 (US20240025922, Example 104) Show SMILES CN1Cc2ccc(Nc3ncc4CCN(Cc4n3)c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648137 (US20240025922, Example 105) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3cnc4CCN(CC(F)F)Cc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648139 (US20240025922, Example 107) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cc1CO Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648140 (US20240025922, Example 108) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3cnc4CCNCc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648142 (US20240025922, Example 110) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3cnc4CCC(O)Cc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648143 (US20240025922, Example 111) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(cc3)N3CCC(O)CC3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648144 (US20240025922, Example 112) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3CCN(Cc3n2)c2cnc3OCCNc3c2C)cc1CC#N Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648146 (US20240025922, Example 114) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cnn(C)c3)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648147 (US20240025922, Example 115) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648148 (US20240025922, Example 116) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cncc(N)c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648150 (US20240025922, Example 118) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3cnccc3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648151 (US20240025922, Example 119) Show SMILES CN1CCc2ncc(Nc3ncc4CCN(Cc4n3)c3sncc3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648152 (US20240025922, Example 120) Show SMILES COc1cccc(F)c1N1CCc2cnc(Nc3cnc4CCN(C)Cc4c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648154 (US20240025922, Example 122) Show SMILES Cc1cc(Nc2cc3CN(CCc3cn2)c2cnc3OCCNc3c2Cl)ccc1NC(=O)CN1CCOCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648156 (US20240025922, Example 124) Show SMILES CN(C)CCNc1ccc(Nc2cc3CN(CCc3cn2)c2cnc3OCCNc3c2C)cc1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM648196 (US20240025922, Example 164) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(CC(=O)N4CC5(COC5)C4)cc3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM648197 (US20240025922, Example 165 | synthesis of compound...) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(CC(=O)N4CC(C4)N4CCOCC4)cc3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM648198 (US20240025922, Example 168 | synthesis of compound...) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3cccc(CS(C)(=N)=O)c3)nc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM648199 (US20240025922, Example 169 | synthesis of compound...) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(cc3)[C@H]3CCCS3(=O)=O)cc2C1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM648200 (US20240025922, Example 170 | synthesis of compound...) Show SMILES Cc1c2NCCOc2ncc1N1CCc2cnc(Nc3ccc(cc3)[C@@H]3CCCS3(=O)=O)cc2C1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM648201 (US20240025922, Example 171) Show SMILES Cc1c(cnc2nc[nH]c12)N1CCc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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