Compile Data Set for Download or QSAR

Found 344 hits Enz. Inhib. hit(s) with all data for entry = 9895   

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
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613868 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613838 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.96	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613838 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613765 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.33	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613877 (4-(4-(5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imida...) Show SMILES C[NH+]1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM608272 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES CN1C=C(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2cc(C)n[nH]2)C(C(N)=O)=[N]1C |w:12.13,5.6,c:34,t:2| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.07	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613790 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cc(F)ccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.82	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613795 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613839 (US11739078, Compound 104 | US11739078, Compound A-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613837 (3'-cyclopentyl-N-(2-fluorophenyl)-5'-(4-fluorophen...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc([nH]1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613839 (US11739078, Compound 104 | US11739078, Compound A-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613837 (3'-cyclopentyl-N-(2-fluorophenyl)-5'-(4-fluorophen...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc([nH]1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.02	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613765 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.05	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613867 (5-(4-(4-fluorophenyl)-1-(tetrahydrofuran-3-yl)-1H-...) Show SMILES COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCOC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.21	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613795 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.46	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613886 (US11739078, Compound A-62 | US11739078, Compound A...) Show SMILES O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.72	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613741 (US11739078, Compound 27 | US11739078, Compound B-2...) Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.11	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613886 (US11739078, Compound A-62 | US11739078, Compound A...) Show SMILES O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.32	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM608267 (N-(2-bromophenyl)-5-(1-cyclopentyl-4-(4-fluorophen...) Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2Cl)-c2cc[nH]n2)c1C(N)=O |w:13.14,6.7| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM608272 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES CN1C=C(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2cc(C)n[nH]2)C(C(N)=O)=[N]1C |w:12.13,5.6,c:34,t:2| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613868 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613741 (US11739078, Compound 27 | US11739078, Compound B-2...) Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613795 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613765 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613768 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1C(F)(F)F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613839 (US11739078, Compound 104 | US11739078, Compound A-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613790 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cc(F)ccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613793 (N-(2-chlorophenyl)-5-(1-cyclopentyl-4-(4-fluorophe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613820 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613824 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613867 (5-(4-(4-fluorophenyl)-1-(tetrahydrofuran-3-yl)-1H-...) Show SMILES COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCOC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613877 (4-(4-(5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imida...) Show SMILES C[NH+]1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613768 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1C(F)(F)F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM608272 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES CN1C=C(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2cc(C)n[nH]2)C(C(N)=O)=[N]1C |w:12.13,5.6,c:34,t:2| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613793 (N-(2-chlorophenyl)-5-(1-cyclopentyl-4-(4-fluorophe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613781 (N-(4-acetylphenyl)-5-(1-cyclopentyl-4-(4-fluorophe...) Show SMILES CC(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613829 (N-(2-fluorophenyl)-5-(4-(4-fluorophenyl)-1-isoprop...) Show SMILES CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccccc1F)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613781 (N-(4-acetylphenyl)-5-(1-cyclopentyl-4-(4-fluorophe...) Show SMILES CC(=O)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613829 (N-(2-fluorophenyl)-5-(4-(4-fluorophenyl)-1-isoprop...) Show SMILES CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccccc1F)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613741 (US11739078, Compound 27 | US11739078, Compound B-2...) Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613803 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM608267 (N-(2-bromophenyl)-5-(1-cyclopentyl-4-(4-fluorophen...) Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2Cl)-c2cc[nH]n2)c1C(N)=O |w:13.14,6.7| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613803 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Cc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613829 (N-(2-fluorophenyl)-5-(4-(4-fluorophenyl)-1-isoprop...) Show SMILES CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccccc1F)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613820 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613838 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613802 (N-(4-acetamidophenyl)-5-(1-cyclohexyl-4-(4-fluorop...) Show SMILES CC(=O)Nc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613802 (N-(4-acetamidophenyl)-5-(1-cyclohexyl-4-(4-fluorop...) Show SMILES CC(=O)Nc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCCC2)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613793 (N-(2-chlorophenyl)-5-(1-cyclopentyl-4-(4-fluorophe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccccc1Cl Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM608267 (N-(2-bromophenyl)-5-(1-cyclopentyl-4-(4-fluorophen...) Show SMILES Cn1ncc(NC(=O)C2CCCCC2C(=O)c2ccc(cc2Cl)-c2cc[nH]n2)c1C(N)=O |w:13.14,6.7| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair

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