Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'fuggetta' and Initial = 'mp'   

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
Caspase-1 (Homo sapiens (Human))	BDBM50602641 (VRT 043198 | Vrt 043198) Show SMILES CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Caspase-1 (Homo sapiens (Human))	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) Show SMILES OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O Show InChI InChI=1S/C24H25N5O7/c30-13-15(12-20(32)33)26-22(34)18-6-3-11-28-19(31)8-7-17(24(36)29(18)28)27-23(35)21-16-5-2-1-4-14(16)9-10-25-21/h1-2,4-5,9-10,13,15,17-18H,3,6-8,11-12H2,(H,26,34)(H,27,35)(H,32,33)/t15-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50198341 (CHEMBL3948172) Show SMILES CC1CCCC2(O1)OC(O)C=CC2=O |c:11| Show InChI InChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h4-5,7,9,12H,2-3,6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Inhibition of telomerase activity in human M14 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition mea...				J Med Chem 59: 9140-9149 (2016) Article DOI: 10.1021/acs.jmedchem.6b01046 BindingDB Entry DOI: 10.7270/Q2NC6352
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50198341 (CHEMBL3948172) Show SMILES CC1CCCC2(O1)OC(O)C=CC2=O |c:11| Show InChI InChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h4-5,7,9,12H,2-3,6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Inhibition of telomerase activity in human HT-29 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition m...				J Med Chem 59: 9140-9149 (2016) Article DOI: 10.1021/acs.jmedchem.6b01046 BindingDB Entry DOI: 10.7270/Q2NC6352
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50198341 (CHEMBL3948172) Show SMILES CC1CCCC2(O1)OC(O)C=CC2=O |c:11| Show InChI InChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h4-5,7,9,12H,2-3,6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Inhibition of telomerase activity in human MCF7 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition me...				J Med Chem 59: 9140-9149 (2016) Article DOI: 10.1021/acs.jmedchem.6b01046 BindingDB Entry DOI: 10.7270/Q2NC6352
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50198341 (CHEMBL3948172) Show SMILES CC1CCCC2(O1)OC(O)C=CC2=O |c:11| Show InChI InChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h4-5,7,9,12H,2-3,6H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Farmacologia Traslazionale Curated by ChEMBL					Assay Description Inhibition of telomerase activity in human H125 cells using biotin-labeled TeloTAGGG as primer preincubated for 48 hrs followed by primer addition me...				J Med Chem 59: 9140-9149 (2016) Article DOI: 10.1021/acs.jmedchem.6b01046 BindingDB Entry DOI: 10.7270/Q2NC6352
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602638 (CHEMBL5172568) Show SMILES [Na;v0+].[#6]C([#6])([#6])[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccccc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602636 (CHEMBL5185782) Show SMILES [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccccc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602629 (CHEMBL5188863) Show SMILES [Na;v0+].[#6]C([#6])([#6])[#6]-[#6@@H](-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602639 (CHEMBL5206575) Show SMILES [Na;v0+].[#6]C([#6])([#6])[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccc(F)cc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602635 (CHEMBL5177960) Show SMILES [Na;v0+].[#6]-[#8]-c1cc2-[#6]-[#6]-[#7](-[#6]-c2cc1-[#8]-[#6])-[#6](=O)-[#6]-[#6]-[#6]-n1nnnc1-[#6](-[#6]C([#6])([#6])[#6])-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602640 (CHEMBL5173761) Show SMILES [Na;v0+].[#6]C([#6])([#6])[#6]-[#6@@H](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccccc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602627 (CHEMBL5192491) Show SMILES [Na;v0+].[#6]C([#6])([#6])[#6]-[#6](-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602637 (CHEMBL5175204) Show SMILES [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6](-[#7](-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-[#6]-c1ccc(F)cc1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602632 (CHEMBL5208650) Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@@H](-c1cccs1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-[#6]-[#6](-[#8-])=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602633 (CHEMBL5173918) Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@H](-c1cccs1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-[#6]-[#6](-[#8-])=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602630 (CHEMBL5178554) Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@@H](-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-c1ccccc1)-[#6]-[#6](-[#8-])=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602631 (CHEMBL5191559) Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@H](-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-c1ccccc1)-[#6]-[#6](-[#8-])=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602634 (CHEMBL5197730) Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6@@H](-c1cccs1)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c1ccccc1)-[#6]-[#6](-[#8-])=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602626 (CHEMBL5181912) Show SMILES [Na;v0+].[#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6]-[#6](-[#8])-[#6]-[#6](-[#8-])=O)-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50602628 (CHEMBL5170698) Show SMILES [Na;v0+].[#8]-[#6](-[#6]-[#7]-[#6](-c1nnnn1-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)-c1ccccc1)-[#6]-[#6](-[#8-])=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114002 BindingDB Entry DOI: 10.7270/Q2JH3R8K
					More data for this Ligand-Target Pair