Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50049074   

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
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234032 (CHEMBL4060668) Show SMILES C(Oc1cncc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r| Show InChI InChI=1S/C19H18N6O/c1-2-6-16-14(4-1)10-20-11-17(16)26-12-15-5-3-9-24(15)18-7-8-21-19-22-13-23-25(18)19/h1-2,4,6-8,10-11,13,15H,3,5,9,12H2/t15-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234031 (CHEMBL4082542) Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2ncnn12 |r| Show InChI InChI=1S/C20H19N5O/c1-2-8-17-15(5-1)6-3-9-18(17)26-13-16-7-4-12-24(16)19-10-11-21-20-22-14-23-25(19)20/h1-3,5-6,8-11,14,16H,4,7,12-13H2/t16-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234025 (CHEMBL4093791) Show SMILES C(Oc1cccc2cnccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C19H18N6O/c1-3-13-9-20-7-6-15(13)16(5-1)26-10-14-4-2-8-25(14)19-17-18(22-11-21-17)23-12-24-19/h1,3,5-7,9,11-12,14H,2,4,8,10H2,(H,21,22,23,24)/t14-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234035 (CHEMBL4070008) Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C20H19N5O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-25(15)20-18-19(22-12-21-18)23-13-24-20/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2,(H,21,22,23,24)/t15-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234037 (CHEMBL4083510) Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ccnc2nccn12 |r| Show InChI InChI=1S/C21H20N4O/c1-2-8-18-16(5-1)6-3-9-19(18)26-15-17-7-4-13-24(17)20-10-11-22-21-23-12-14-25(20)21/h1-3,5-6,8-12,14,17H,4,7,13,15H2/t17-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234024 (CHEMBL4097198) Show SMILES Cc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234033 (CHEMBL4078213) Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C16H16ClN5O/c17-12-5-1-2-6-13(12)23-8-11-4-3-7-22(11)16-14-15(19-9-18-14)20-10-21-16/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19,20,21)/t11-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234022 (CHEMBL4066295) Show SMILES N#Cc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)cc1 |r| Show InChI InChI=1S/C17H16N6O/c18-8-12-3-5-14(6-4-12)24-9-13-2-1-7-23(13)17-15-16(20-10-19-15)21-11-22-17/h3-6,10-11,13H,1-2,7,9H2,(H,19,20,21,22)/t13-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234020 (CHEMBL4101592) Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1F |r| Show InChI InChI=1S/C16H15F2N5O/c17-11-4-1-5-12(13(11)18)24-7-10-3-2-6-23(10)16-14-15(20-8-19-14)21-9-22-16/h1,4-5,8-10H,2-3,6-7H2,(H,19,20,21,22)/t10-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234030 (CHEMBL4101510) Show SMILES C(Oc1cccc2ccccc12)[C@H]1CCCN1c1ncnc2ncnn12 |r| Show InChI InChI=1S/C19H18N6O/c1-2-8-16-14(5-1)6-3-9-17(16)26-11-15-7-4-10-24(15)19-22-12-20-18-21-13-23-25(18)19/h1-3,5-6,8-9,12-13,15H,4,7,10-11H2/t15-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234021 (CHEMBL4074903) Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)c1 |r| Show InChI InChI=1S/C16H16FN5O/c17-11-3-1-5-13(7-11)23-8-12-4-2-6-22(12)16-14-15(19-9-18-14)20-10-21-16/h1,3,5,7,9-10,12H,2,4,6,8H2,(H,18,19,20,21)/t12-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234027 (CHEMBL4086033) Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ccnc2[nH]cnc12 |r| Show InChI InChI=1S/C17H17ClN4O/c18-13-5-1-2-6-15(13)23-10-12-4-3-9-22(12)14-7-8-19-17-16(14)20-11-21-17/h1-2,5-8,11-12H,3-4,9-10H2,(H,19,20,21)/t12-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234028 (CHEMBL4063448) Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ccnc2nsnc12 |r| Show InChI InChI=1S/C16H15ClN4OS/c17-12-5-1-2-6-14(12)22-10-11-4-3-9-21(11)13-7-8-18-16-15(13)19-23-20-16/h1-2,5-8,11H,3-4,9-10H2/t11-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234034 (CHEMBL4093860) Show SMILES Fc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]cnc23)cc1 |r| Show InChI InChI=1S/C16H16FN5O/c17-11-3-5-13(6-4-11)23-8-12-2-1-7-22(12)16-14-15(19-9-18-14)20-10-21-16/h3-6,9-10,12H,1-2,7-8H2,(H,18,19,20,21)/t12-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234036 (CHEMBL4064507) Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]ncc12 |r| Show InChI InChI=1S/C16H16ClN5O/c17-13-5-1-2-6-14(13)23-9-11-4-3-7-22(11)16-12-8-20-21-15(12)18-10-19-16/h1-2,5-6,8,10-11H,3-4,7,9H2,(H,18,19,20,21)/t11-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234026 (CHEMBL4073089) Show SMILES Fc1cccc(OC[C@H]2CCCN2c2ncnc3[nH]ccc23)c1 |r| Show InChI InChI=1S/C17H17FN4O/c18-12-3-1-5-14(9-12)23-10-13-4-2-8-22(13)17-15-6-7-19-16(15)20-11-21-17/h1,3,5-7,9,11,13H,2,4,8,10H2,(H,19,20,21)/t13-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234019 (CHEMBL4096268) Show SMILES Clc1ccccc1OC[C@@H]1CCCN1c1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C16H16ClN5O/c17-12-5-1-2-6-13(12)23-8-11-4-3-7-22(11)16-14-15(19-9-18-14)20-10-21-16/h1-2,5-6,9-11H,3-4,7-8H2,(H,18,19,20,21)/t11-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50234029 (CHEMBL4091303) Show SMILES Clc1ccccc1OC[C@H]1CCCN1c1ncnc2ncccc12 |r| Show InChI InChI=1S/C18H17ClN4O/c19-15-7-1-2-8-16(15)24-11-13-5-4-10-23(13)18-14-6-3-9-20-17(14)21-12-22-18/h1-3,6-9,12-13H,4-5,10-11H2/t13-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...				Bioorg Med Chem Lett 27: 551-556 (2017) Article DOI: 10.1016/j.bmcl.2016.12.019 BindingDB Entry DOI: 10.7270/Q2V98BB4
					More data for this Ligand-Target Pair