Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'zanardi' and Initial = 'f'   

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
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117886 (CHEMBL3612603) Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C Show InChI InChI=1S/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117899 (CHEMBL3612604) Show SMILES CCC(=O)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117907 (CHEMBL3612608) Show SMILES CCC(=O)NCC1CCc2ccccc2N1c1ccccc1 Show InChI InChI=1S/C19H22N2O/c1-2-19(22)20-14-17-13-12-15-8-6-7-11-18(15)21(17)16-9-4-3-5-10-16/h3-11,17H,2,12-14H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117879 (CHEMBL3612461) Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1C Show InChI InChI=1S/C15H23N3O2/c1-4-16-15(19)17-10-11-8-9-12-13(18(11)2)6-5-7-14(12)20-3/h5-7,11H,4,8-10H2,1-3H3,(H2,16,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117880 (CHEMBL3612462) Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H21N3O/c1-3-15-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17(12)2/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117902 (CHEMBL3612606) Show SMILES CCCN1C(CNC(C)=O)CCc2ccccc12 Show InChI InChI=1S/C15H22N2O/c1-3-10-17-14(11-16-12(2)18)9-8-13-6-4-5-7-15(13)17/h4-7,14H,3,8-11H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117876 (CHEMBL3612456) Show SMILES CCC(=O)NCC1CCc2ccccc2N1 Show InChI InChI=1S/C13H18N2O/c1-2-13(16)14-9-11-8-7-10-5-3-4-6-12(10)15-11/h3-6,11,15H,2,7-9H2,1H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117882 (CHEMBL3612464) Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117908 (CHEMBL3612609) Show SMILES CCNC(=S)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H21N3S/c1-3-15-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17(12)2/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117883 (CHEMBL3612467) Show SMILES CCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1 Show InChI InChI=1S/C20H24N2O/c1-2-20(23)21-14-18-13-12-17-10-6-7-11-19(17)22(18)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117884 (CHEMBL3612468) Show SMILES CC(=O)NCC1CCc2ccccc2N1Cc1ccccc1 Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117885 (CHEMBL3612469) Show SMILES CC(=O)NC[C@H]1CCc2ccccc2N1Cc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117875 (CHEMBL3612455) Show SMILES CCC(=O)NCC1CCc2c(N1)cccc2OC Show InChI InChI=1S/C14H20N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-6,10,16H,3,7-9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117877 (CHEMBL3612458) Show SMILES CCNC(=O)NCC1CCc2ccccc2N1 Show InChI InChI=1S/C13H19N3O/c1-2-14-13(17)15-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-6,11,16H,2,7-9H2,1H3,(H2,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117919 (CHEMBL3612470) Show SMILES CC(=O)NC[C@@H]1CCc2ccccc2N1Cc1ccccc1 |r| Show InChI InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117881 (CHEMBL3612463) Show SMILES CCNC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1 Show InChI InChI=1S/C21H27N3O2/c1-3-22-21(25)23-14-17-12-13-18-19(10-7-11-20(18)26-2)24(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117926 (CHEMBL3612605) Show SMILES CC(=O)NCC1CCc2ccccc2N1CCc1ccccc1 Show InChI InChI=1S/C20H24N2O/c1-16(23)21-15-19-12-11-18-9-5-6-10-20(18)22(19)14-13-17-7-3-2-4-8-17/h2-10,19H,11-15H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117917 (CHEMBL3612465) Show SMILES CCC(=O)NCC1CCc2cc(OC)ccc2N1Cc1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-10-9-17-13-19(25-2)11-12-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,11-13,18H,3,9-10,14-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117918 (CHEMBL3612466) Show SMILES CCC(=O)NCC1CCc2ccc(OC)cc2N1Cc1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-18-11-9-17-10-12-19(25-2)13-20(17)23(18)15-16-7-5-4-6-8-16/h4-8,10,12-13,18H,3,9,11,14-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	214	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117920 (CHEMBL3612471) Show SMILES O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CC1 Show InChI InChI=1S/C21H24N2O/c24-21(18-10-11-18)22-14-19-13-12-17-8-4-5-9-20(17)23(19)15-16-6-2-1-3-7-16/h1-9,18-19H,10-15H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117878 (CHEMBL3612460) Show SMILES CCNC(=S)NCC1CCc2ccccc2N1 Show InChI InChI=1S/C13H19N3S/c1-2-14-13(17)15-9-11-8-7-10-5-3-4-6-12(10)16-11/h3-6,11,16H,2,7-9H2,1H3,(H2,14,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	305	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117929 (CHEMBL3612610) Show SMILES CCC(=O)NCCC1CCc2ccccc2N1Cc1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-2-21(24)22-15-14-19-13-12-18-10-6-7-11-20(18)23(19)16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117915 (CHEMBL3612457) Show SMILES CCNC(=O)NCC1CCc2c(N1)cccc2OC Show InChI InChI=1S/C14H21N3O2/c1-3-15-14(18)16-9-10-7-8-11-12(17-10)5-4-6-13(11)19-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117923 (CHEMBL3612602) Show SMILES O=C(NCC1CCc2ccccc2N1Cc1ccccc1)C1CCC1 Show InChI InChI=1S/C22H26N2O/c25-22(19-10-6-11-19)23-15-20-14-13-18-9-4-5-12-21(18)24(20)16-17-7-2-1-3-8-17/h1-5,7-9,12,19-20H,6,10-11,13-16H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	633	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117916 (CHEMBL3612459) Show SMILES CCNC(=S)NCC1CCc2c(N1)cccc2OC Show InChI InChI=1S/C14H21N3OS/c1-3-15-14(19)16-9-10-7-8-11-12(17-10)5-4-6-13(11)18-2/h4-6,10,17H,3,7-9H2,1-2H3,(H2,15,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117927 (CHEMBL3612607) Show SMILES CCC(=O)NCC1CCc2ccccc2N1CC(=O)NC Show InChI InChI=1S/C16H23N3O2/c1-3-15(20)18-10-13-9-8-12-6-4-5-7-14(12)19(13)11-16(21)17-2/h4-7,13H,3,8-11H2,1-2H3,(H,17,21)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50117912 (CHEMBL3612611) Show SMILES CCC(=O)NCc1ccc2c(OC)cccc2n1 Show InChI InChI=1S/C14H16N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-8H,3,9H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b01066 BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372593 (CHEMBL410050) Show SMILES [#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-2 Show InChI InChI=1S/C20H32N8O7/c1-2-15(30)28-9-10-6-13(28)19(35)27-11(4-3-5-23-20(21)22)17(33)24-8-14(29)26-12(7-16(31)32)18(34)25-10/h10-13H,2-9H2,1H3,(H,24,33)(H,25,34)(H,26,29)(H,27,35)(H,31,32)(H4,21,22,23)/t10-,11-,12-,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372594 (CHEMBL437072) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-2 Show InChI InChI=1S/C24H42N8O6/c1-2-3-4-5-6-10-32-14-15-11-18(32)23(38)31-16(8-7-9-27-24(25)26)21(36)28-13-19(33)30-17(12-20(34)35)22(37)29-15/h15-18H,2-14H2,1H3,(H,28,36)(H,29,37)(H,30,33)(H,31,38)(H,34,35)(H4,25,26,27)/t15-,16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-5 receptor by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372592 (CHEMBL406912) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#6]-[#7]-2-[#6](=O)-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C24H32N8O7/c25-24(26)27-8-4-7-15-20(36)28-11-18(33)30-16(10-19(34)35)21(37)29-14-9-17(22(38)31-15)32(12-14)23(39)13-5-2-1-3-6-13/h1-3,5-6,14-17H,4,7-12H2,(H,28,36)(H,29,37)(H,30,33)(H,31,38)(H,34,35)(H4,25,26,27)/t14-,15-,16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372596 (CHEMBL270683) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@H](-[#6]-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C17H28N8O6/c18-17(19)20-3-1-2-9-14(29)22-7-12(26)24-11(5-13(27)28)16(31)23-8-4-10(21-6-8)15(30)25-9/h8-11,21H,1-7H2,(H,22,29)(H,23,31)(H,24,26)(H,25,30)(H,27,28)(H4,18,19,20)/t8-,9+,10-,11+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177887 (CHEMBL269913 | CHEMBL556402 | c-[-Arg-Gly-Asp-Acpc...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372589 (CHEMBL411863) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#6]-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C17H28N8O6/c18-17(19)20-3-1-2-9-14(29)22-7-12(26)24-11(5-13(27)28)16(31)23-8-4-10(21-6-8)15(30)25-9/h8-11,21H,1-7H2,(H,22,29)(H,23,31)(H,24,26)(H,25,30)(H,27,28)(H4,18,19,20)/t8-,9-,10-,11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177887 (CHEMBL269913 | CHEMBL556402 | c-[-Arg-Gly-Asp-Acpc...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50372594 (CHEMBL437072) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-2 Show InChI InChI=1S/C24H42N8O6/c1-2-3-4-5-6-10-32-14-15-11-18(32)23(38)31-16(8-7-9-27-24(25)26)21(36)28-13-19(33)30-17(12-20(34)35)22(37)29-15/h15-18H,2-14H2,1H3,(H,28,36)(H,29,37)(H,30,33)(H,31,38)(H,34,35)(H4,25,26,27)/t15-,16-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50370689 (CHEMBL392303 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6@@H](-[#7]-3-[#6]-2=O)-[#6]-1=O Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12-,13-,14+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-5 receptor by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372591 (CHEMBL406680) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6]-[#7]-2-[#6](=O)-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C24H32N8O7/c25-24(26)27-8-4-7-15-20(36)28-11-18(33)30-16(10-19(34)35)21(37)29-14-9-17(22(38)31-15)32(12-14)23(39)13-5-2-1-3-6-13/h1-3,5-6,14-17H,4,7-12H2,(H,28,36)(H,29,37)(H,30,33)(H,31,38)(H,34,35)(H4,25,26,27)/t14-,15+,16+,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372595 (CHEMBL272436) Show SMILES NC1CC(=O)N[C@@H]2CN[C@H](C2)C(=O)NC(N)=NCCC[C@H](NC(=O)CNC1=O)C(O)=O |w:16.17| Show InChI InChI=1S/C17H28N8O6/c18-9-5-12(26)23-8-4-11(21-6-8)15(29)25-17(19)20-3-1-2-10(16(30)31)24-13(27)7-22-14(9)28/h8-11,21H,1-7,18H2,(H,22,28)(H,23,26)(H,24,27)(H,30,31)(H3,19,20,25,29)/t8-,9?,10-,11+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177887 (CHEMBL269913 | CHEMBL556402 | c-[-Arg-Gly-Asp-Acpc...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-5 receptor by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50370689 (CHEMBL392303 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6@@H](-[#7]-3-[#6]-2=O)-[#6]-1=O Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12-,13-,14+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50233956 (CHEMBL4075011) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCNC(=O)CCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1 |r| Show InChI InChI=1S/C44H58FN15O9/c1-23-32(18-29-28-16-25(45)7-9-30(28)55-39(29)65)52-24(2)38(23)43(69)49-13-12-48-35(61)10-8-26-22-60(58-57-26)15-4-3-14-59-21-27-17-34(59)42(68)56-31(6-5-11-50-44(46)47)40(66)51-20-36(62)54-33(19-37(63)64)41(67)53-27/h7,9,16,18,22,27,31,33-34,52H,3-6,8,10-15,17,19-21H2,1-2H3,(H,48,61)(H,49,69)(H,51,66)(H,53,67)(H,54,62)(H,55,65)(H,56,68)(H,63,64)(H4,46,47,50)/b29-18-/t27-,31-,33-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of biotinylated vitronectin from recombinant human integrin alphaVbeta3 dark incubated for 3 hrs by solid-phase receptor binding assay				J Med Chem 60: 248-262 (2017) Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50370689 (CHEMBL392303 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6@@H](-[#7]-3-[#6]-2=O)-[#6]-1=O Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12-,13-,14+,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177887 (CHEMBL269913 | CHEMBL556402 | c-[-Arg-Gly-Asp-Acpc...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50372588 (CHEMBL270690) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6]-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C17H28N8O6/c18-17(19)20-3-1-2-9-14(29)22-7-12(26)24-11(5-13(27)28)16(31)23-8-4-10(21-6-8)15(30)25-9/h8-11,21H,1-7H2,(H,22,29)(H,23,31)(H,24,26)(H,25,30)(H,27,28)(H4,18,19,20)/t8-,9+,10+,11+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alphaVbeta5 receptor high affinity state by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) phosphorylation				J Med Chem 60: 248-262 (2017) Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50372594 (CHEMBL437072) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-2 Show InChI InChI=1S/C24H42N8O6/c1-2-3-4-5-6-10-32-14-15-11-18(32)23(38)31-16(8-7-9-27-24(25)26)21(36)28-13-19(33)30-17(12-20(34)35)22(37)29-15/h15-18H,2-14H2,1H3,(H,28,36)(H,29,37)(H,30,33)(H,31,38)(H,34,35)(H4,25,26,27)/t15-,16-,17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor by solid phase assay				J Med Chem 51: 1771-82 (2008) Article DOI: 10.1021/jm701214z BindingDB Entry DOI: 10.7270/Q29K4C3P
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assay				J Med Chem 60: 248-262 (2017) Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 137 total )  |  Next  |  Last  >>

Jump to: