Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'cataldi' and Initial = 'a'   

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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50036734 ((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50009307 (DITOLYLGUANIDINE | Di-o-tolylguanidine) Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036734 ((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50059789 (CHEMBL3393789) Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50059787 (CHEMBL3393790) Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50036734 ((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	353	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50036738 ((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...) Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50059787 (CHEMBL3393790) Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50059789 (CHEMBL3393789) Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50059787 (CHEMBL3393790) Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50059789 (CHEMBL3393789) Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Chieti Gabriele D'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method				Eur J Med Chem 90: 1-9 (2015) Article DOI: 10.1016/j.ejmech.2014.11.012 BindingDB Entry DOI: 10.7270/Q2WS8VWN
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM13061 (4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...) Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1 Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University Curated by ChEMBL					Assay Description Inhibition of aromatase in human MCF-7aro cells using [1beta-3H] androstenedione as substrate incubated for 1 hr by liquid scintillation counting met...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111815 BindingDB Entry DOI: 10.7270/Q2NC64GH
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50543107 (CHEMBL4633346) Show SMILES Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H14FN3O/c1-10(17)18-13-6-2-11(3-7-13)15(20)19-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18)(H,19,20)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50401339 (CHEMBL4161447) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H]2CCCN2)c1 |r| Show InChI InChI=1S/C15H22N4O.2ClH/c1-11(16)18-9-12-4-2-5-13(8-12)10-19-15(20)14-6-3-7-17-14;;/h2,4-5,8,14,17H,3,6-7,9-10H2,1H3,(H2,16,18)(H,19,20);2*1H/t14-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50504788 (CHEMBL4537791) Show SMILES O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C15H14N2O2S/c18-20(19,11-12-4-2-1-3-5-12)17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16-17H,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorime...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111815 BindingDB Entry DOI: 10.7270/Q2NC64GH
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403157 (CHEMBL4171271) Show SMILES Cl.Cl.CC[C@H](C)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C17H28O7P2/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(24-16)10-23-11-25(18,19)12-26(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50504787 (CHEMBL1371590) Show SMILES O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccccc1 Show InChI InChI=1S/C16H16N2O2S/c19-21(20,14-6-2-1-3-7-14)18-11-10-13-12-17-16-9-5-4-8-15(13)16/h1-9,12,17-18H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorime...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111815 BindingDB Entry DOI: 10.7270/Q2NC64GH
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403472 (CHEMBL4169004) Show SMILES Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C31H43N5O5/c1-18(2)9-25(35-30(41)36-31-14-19-10-20(15-31)12-21(11-19)16-31)29(40)34-26(28(39)32-8-7-27(37)38)13-22-17-33-24-6-4-3-5-23(22)24/h3-6,17-21,25-26,33H,7-16H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t19?,20?,21?,25-,26+,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403162 (CHEMBL4160671) Show SMILES Cl.Cl.C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C16H30O6P2/c1-15(2)9-8-11-16(3)10-6-4-5-7-12-22-13-23(17,18)14-24(19,20)21/h5,7,9-10H,4,6,8,11-14H2,1-3H3,(H,17,18)(H2,19,20,21)/b7-5+,16-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50095298 (CHEMBL3589087) Show SMILES CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403160 (CHEMBL4169649) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCCN)c1 |r| Show InChI InChI=1S/C18H28O6P2/c1-15(2)6-4-7-16(3)10-17-8-5-9-18(11-17)12-24-13-25(19,20)14-26(21,22)23/h5-6,8-11H,4,7,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403161 (CHEMBL4177347) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCCNC(N)=N)c1 |r| Show InChI InChI=1S/C16H26O6P2S/c1-13(2)5-4-6-14(3)9-15-7-8-16(25-15)10-22-11-23(17,18)12-24(19,20)21/h5,7-9H,4,6,10-12H2,1-3H3,(H,17,18)(H2,19,20,21)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50504786 (CHEMBL4516755) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2cc[nH]c2c1 Show InChI InChI=1S/C15H14N2O2S/c1-11-2-6-14(7-3-11)20(18,19)17-13-5-4-12-8-9-16-15(12)10-13/h2-10,16-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorime...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111815 BindingDB Entry DOI: 10.7270/Q2NC64GH
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403159 (CHEMBL4173076) Show SMILES Cl.Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2cnc[nH]2)c1 |r| Show InChI InChI=1S/C17H28O6P2S/c1-13(2)6-5-7-14(3)8-16-9-15(4)17(26-16)10-23-11-24(18,19)12-25(20,21)22/h6,8-9H,5,7,10-12H2,1-4H3,(H,18,19)(H2,20,21,22)/b14-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	534	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50543108 (CHEMBL4635568) Show SMILES CC(N)C(=O)Cc1cn[nH]c1 Show InChI InChI=1S/C7H11N3O/c1-5(8)7(11)2-6-3-9-10-4-6/h3-5H,2,8H2,1H3,(H,9,10)	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	681	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50504789 (CHEMBL4464506) Show SMILES O=S(=O)(Cc1ccccc1)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C17H18N2O2S/c20-22(21,13-14-6-2-1-3-7-14)19-11-10-15-12-18-17-9-5-4-8-16(15)17/h1-9,12,18-19H,10-11,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
"G. d'Annunzio" University Curated by ChEMBL					Assay Description Inhibition of recombinant human aromatase preincubated for 10 mins followed by substrate and beta-NADP+ addition and measured for 60 mins by fluorime...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111815 BindingDB Entry DOI: 10.7270/Q2NC64GH
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50570215 (CHEMBL4858552) Show SMILES O=C(NCc1ccccc1)OC(Cn1ccnc1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP19A measured every 1 min for 60 mins by flourimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113115 BindingDB Entry DOI: 10.7270/Q2XP78PT
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50570216 (CHEMBL4874326) Show SMILES Clc1ccc(NC(=O)OC(COc2ccccc2)Cn2ccnc2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CYP19A measured every 1 min for 60 mins by flourimetric assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113115 BindingDB Entry DOI: 10.7270/Q2XP78PT
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403156 (CHEMBL4176848) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CC(O)=O)c1 |r| Show InChI InChI=1S/C19H30O6P2/c1-15(2)6-5-7-16(3)10-18-8-9-19(17(4)11-18)12-25-13-26(20,21)14-27(22,23)24/h6,8-11H,5,7,12-14H2,1-4H3,(H,20,21)(H2,22,23,24)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403464 (CHEMBL4166234) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(O)=O)c1 |r| Show InChI InChI=1S/C25H35N5O5/c1-16(2)13-20(29-25(35)30-11-5-6-12-30)24(34)28-21(23(33)26-10-9-22(31)32)14-17-15-27-19-8-4-3-7-18(17)19/h3-4,7-8,15-16,20-21,27H,5-6,9-14H2,1-2H3,(H,26,33)(H,28,34)(H,29,35)(H,31,32)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50573759 (CHEMBL4870604) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc(cc1)\N=N\c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity using 7-methoxy-4-trifluoromethyl coumarin as a substrate by fluorimetr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113737 BindingDB Entry DOI: 10.7270/Q20G3PZD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50573760 (CHEMBL4868867) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N(Cc1nc2ccccc2[nH]1)c1ccc(cc1)\N=N\c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity using 7-methoxy-4-trifluoromethyl coumarin as a substrate by fluorimetr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113737 BindingDB Entry DOI: 10.7270/Q20G3PZD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50210930 (CHEMBL3924170) Show SMILES COc1cnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)nc1 Show InChI InChI=1S/C23H18N4O6S/c1-32-17-13-25-23(26-14-17)27-34(30,31)18-8-6-16(7-9-18)24-11-10-20(28)19-12-15-4-2-3-5-21(15)33-22(19)29/h2-14,24H,1H3,(H,25,26,27)/b11-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase in T47D measured after 24 hrs by ELISA				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113737 BindingDB Entry DOI: 10.7270/Q20G3PZD
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50543107 (CHEMBL4633346) Show SMILES Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H14FN3O/c1-10(17)18-13-6-2-11(3-7-13)15(20)19-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition ...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in pr...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50226527 (CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...) Show SMILES CC(N)=NCc1cccc(CN)c1 |w:3.3| Show InChI InChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins followed by NADPH addition ...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50573758 (CHEMBL4847316) Show SMILES O=S(=O)(Nc1ccc(cc1)\N=N\c1ccccc1)c1ccc(cc1)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity using 7-methoxy-4-trifluoromethyl coumarin as a substrate by fluorimetr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113737 BindingDB Entry DOI: 10.7270/Q20G3PZD
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50345657 (CHEMBL1784801 | rac-3-((1H-imidazol-1-yl)methyl)-1...) Show SMILES COc1ccc(cc1C(C)(C)C)S(=O)(=O)N1CCCC(Cn2ccnc2)C1 Show InChI InChI=1S/C20H29N3O3S/c1-20(2,3)18-12-17(7-8-19(18)26-4)27(24,25)23-10-5-6-16(14-23)13-22-11-9-21-15-22/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human aromatase assessed as reduction in fluorescence intensity using 7-methoxy-4-trifluoromethyl coumarin as a substrate by fluorimetr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113737 BindingDB Entry DOI: 10.7270/Q20G3PZD
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50403464 (CHEMBL4166234) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(O)=O)c1 |r| Show InChI InChI=1S/C25H35N5O5/c1-16(2)13-20(29-25(35)30-11-5-6-12-30)24(34)28-21(23(33)26-10-9-22(31)32)14-17-15-27-19-8-4-3-7-18(17)19/h3-4,7-8,15-16,20-21,27H,5-6,9-14H2,1-2H3,(H,26,33)(H,28,34)(H,29,35)(H,31,32)/t20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50543107 (CHEMBL4633346) Show SMILES Br.CC(=N)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H14FN3O/c1-10(17)18-13-6-2-11(3-7-13)15(20)19-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human eNOS using L-argininge as substrate preincubated for 15 mins followed by NADPH addition and measured after 20 mins by OPA/NAC rea...				ACS Med Chem Lett 11: 1470-1475 (2020) Article DOI: 10.1021/acsmedchemlett.0c00285 BindingDB Entry DOI: 10.7270/Q2X06BMG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403158 (CHEMBL4163633) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2ccc(O)cc2)c1 |r| Show InChI InChI=1S/C18H28O6P2/c1-15(2)5-4-6-16(3)11-17-7-9-18(10-8-17)12-24-13-25(19,20)14-26(21,22)23/h5,7-11H,4,6,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50400786 (CHEMBL4171037) Show SMILES Cl.Cl.CC(=N)NCc1cccc(CNC(=O)[C@@H](N)CCC(N)=O)c1 |r| Show InChI InChI=1S/C15H23N5O2.2ClH/c1-10(16)19-8-11-3-2-4-12(7-11)9-20-15(22)13(17)5-6-14(18)21;;/h2-4,7,13H,5-6,8-9,17H2,1H3,(H2,16,19)(H2,18,21)(H,20,22);2*1H/t13-;;/m0../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403471 (CHEMBL4161080) Show SMILES Cl.Cl.CC(C)[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C27H41N5O6/c1-17(2)14-21(31-26(38)32(12-13-33)27(3,4)5)25(37)30-22(24(36)28-11-10-23(34)35)15-18-16-29-20-9-7-6-8-19(18)20/h6-9,16-17,21-22,29,33H,10-15H2,1-5H3,(H,28,36)(H,30,37)(H,31,38)(H,34,35)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair

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