Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'lund' and Initial = 'fe'   

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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303] (Schistosoma mansoni)	BDBM65496 (SmNACE inhibitor, 2) Show SMILES Cc1occc1C(=O)N\N=C\c1cc(Cl)ccc1O Show InChI InChI=1S/C13H11ClN2O3/c1-8-11(4-5-19-8)13(18)16-15-7-9-6-10(14)2-3-12(9)17/h2-7,17H,1H3,(H,16,18)/b15-7+	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase (Schistosoma mansoni)	BDBM65496 (SmNACE inhibitor, 2) Show SMILES Cc1occc1C(=O)N\N=C\c1cc(Cl)ccc1O Show InChI InChI=1S/C13H11ClN2O3/c1-8-11(4-5-19-8)13(18)16-15-7-9-6-10(14)2-3-12(9)17/h2-7,17H,1H3,(H,16,18)/b15-7+	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303] (Schistosoma mansoni)	BDBM65499 (Zn(II) complex of 2) Show SMILES CC1OCCC1C1NN2Cc3cc(C)ccc3O[Zn+]2O1 Show InChI InChI=1S/C14H20N2O3.Zn/c1-9-3-4-13(17)11(7-9)8-15-16-14(18)12-5-6-19-10(12)2;/h3-4,7,10,12,14,16-17H,5-6,8H2,1-2H3;/q-2;+4/p-1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303] (Schistosoma mansoni)	BDBM65500 (SmNACE inhibitor, 3) Show SMILES O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1 Show InChI InChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081942 (CHEMBL3422364) Show SMILES Cc1occc1C(=O)N\N=C/c1cccc(Cl)c1O Show InChI InChI=1S/C13H11ClN2O3/c1-8-10(5-6-19-8)13(18)16-15-7-9-3-2-4-11(14)12(9)17/h2-7,17H,1H3,(H,16,18)/b15-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase (Schistosoma mansoni)	BDBM65500 (SmNACE inhibitor, 3) Show SMILES O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1 Show InChI InChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081943 (CHEMBL3422366) Show SMILES Cc1occc1C(=O)N\N=C/c1cccc(F)c1O Show InChI InChI=1S/C13H11FN2O3/c1-8-10(5-6-19-8)13(18)16-15-7-9-3-2-4-11(14)12(9)17/h2-7,17H,1H3,(H,16,18)/b15-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase (Schistosoma mansoni)	BDBM65495 (SmNACE inhibitor, 1) Show SMILES Cc1occc1C(=O)N\N=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H12N2O4/c1-8-10(4-5-19-8)13(18)15-14-7-9-2-3-11(16)12(17)6-9/h2-7,16-17H,1H3,(H,15,18)/b14-7+	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303] (Schistosoma mansoni)	BDBM65495 (SmNACE inhibitor, 1) Show SMILES Cc1occc1C(=O)N\N=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H12N2O4/c1-8-10(4-5-19-8)13(18)15-14-7-9-2-3-11(16)12(17)6-9/h2-7,16-17H,1H3,(H,15,18)/b14-7+	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081939 (CHEMBL3422360) Show SMILES COc1cc(\C=N/NC(=O)c2ccoc2C)ccc1O Show InChI InChI=1S/C14H14N2O4/c1-9-11(5-6-20-9)14(18)16-15-8-10-3-4-12(17)13(7-10)19-2/h3-8,17H,1-2H3,(H,16,18)/b15-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081938 (CHEMBL3422359) Show SMILES Cc1occc1C(=O)N\N=C/c1ccc(O)c(O)c1 Show InChI InChI=1S/C13H12N2O4/c1-8-10(4-5-19-8)13(18)15-14-7-9-2-3-11(16)12(17)6-9/h2-7,16-17H,1H3,(H,15,18)/b14-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081944 (CHEMBL3422380) Show SMILES Cc1occc1C(=O)NNC(=O)c1ccccc1O Show InChI InChI=1S/C13H12N2O4/c1-8-9(6-7-19-8)12(17)14-15-13(18)10-4-2-3-5-11(10)16/h2-7,16H,1H3,(H,14,17)(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase (Schistosoma mansoni)	BDBM65499 (Zn(II) complex of 2) Show SMILES CC1OCCC1C1NN2Cc3cc(C)ccc3O[Zn+]2O1 Show InChI InChI=1S/C14H20N2O3.Zn/c1-9-3-4-13(17)11(7-9)8-15-16-14(18)12-5-6-19-10(12)2;/h3-4,7,10,12,14,16-17H,5-6,8H2,1-2H3;/q-2;+4/p-1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.4	37
CAMB UMR 7199 CNRS-Universite de Strasbourg					Assay Description SmNACE activity and inhibition were measured with a sensitive, continuous, fluorometric assay platform that used 1,N6-ethenonicotinamide adenine dinu...				ACS Chem Biol 12: 1787-1795 (2017) Article DOI: 10.1021/acschembio.7b00186 BindingDB Entry DOI: 10.7270/Q2JM27SR
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081940 (CHEMBL3422361) Show SMILES Cc1occc1C(=O)N\N=C/c1ccccc1 Show InChI InChI=1S/C13H12N2O2/c1-10-12(7-8-17-10)13(16)15-14-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)/b14-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Homo sapiens (Human))	BDBM50081941 (CHEMBL3422362) Show SMILES Cc1occc1C(=O)N\N=C/c1ccccc1O Show InChI InChI=1S/C13H12N2O3/c1-9-11(6-7-18-9)13(17)15-14-8-10-4-2-3-5-12(10)16/h2-8,16H,1H3,(H,15,17)/b14-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
CAMB UMR7199 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human CD38 by HPLC analysis				J Med Chem 58: 3582-92 (2015) Article DOI: 10.1021/acs.jmedchem.5b00203 BindingDB Entry DOI: 10.7270/Q2SX6FZ8
					More data for this Ligand-Target Pair