Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 2004   

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 14 (Homo sapiens (Human))	BDBM16015 (CHEMBL252967 | N-cyclopropyl-4-[4-(3,4-dichlorophe...) Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 Show InChI InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0780	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM16016 (CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...) Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16016 (CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...) Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM16015 (CHEMBL252967 | N-cyclopropyl-4-[4-(3,4-dichlorophe...) Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 Show InChI InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM16017 (4-(2,7-phenanthrolin-9-yl)phenol | 4-(2=7-phenantr...) Show SMILES Oc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1 Show InChI InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16017 (4-(2,7-phenanthrolin-9-yl)phenol | 4-(2=7-phenantr...) Show SMILES Oc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1 Show InChI InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...				Chem Biol 10: 705-12 (2003) Article DOI: 10.1016/S1074-5521(03)00159-5 BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
					More data for this Ligand-Target Pair