Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'varrone' and Initial = 'm'   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50420342 (CHEMBL2089156) Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.1	460	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417343 (CHEMBL1276140) Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50420342 (CHEMBL2089156) Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m1/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417343 (CHEMBL1276140) Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13212 ((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...) Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.9	530	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417343 (CHEMBL1276140) Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
TBA Curated by ChEMBL					Assay Description Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor mic...				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50417342 (CHEMBL1276139) Show SMILES C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50019646 (2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...) Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12| Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50417342 (CHEMBL1276139) Show SMILES C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor mic...				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50300802 (5-Morpholin-4-ylpentanoic acid(4-pyridin-3-ylpheny...) Show SMILES O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22-19-8-6-17(7-9-19)18-4-3-10-21-16-18/h3-4,6-10,16H,1-2,5,11-15H2,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat rat alpha7 nAChR expressed in rat GH4C1 cells				Bioorg Med Chem 17: 5247-58 (2009) Article DOI: 10.1016/j.bmc.2009.05.040 BindingDB Entry DOI: 10.7270/Q29K4B8H
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50420342 (CHEMBL2089156) Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50420341 (CHEMBL2089155) Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50412245 (CHEMBL495095) Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417343 (CHEMBL1276140) Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50419878 (CHEMBL1956195) Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50420342 (CHEMBL2089156) Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15| Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Alpha-2B adrenergic receptor (Homo sapiens (Human))	BDBM50417342 (CHEMBL1276139) Show SMILES C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells after 30 mins by scintillation counting				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50016897 (2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...) Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50319673 (1-[6-(4-Fluorophenyl)pyridin-3-yl]-3-(4-piperidin-...) Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 Show InChI InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siena Biotech SpA Curated by ChEMBL					Assay Description Binding affinity to 5HT4 receptor				J Med Chem 53: 4379-89 (2010) Article DOI: 10.1021/jm901692q BindingDB Entry DOI: 10.7270/Q2S46S4Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417342 (CHEMBL1276139) Show SMILES C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13| Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins				ACS Med Chem Lett 3: 535-539 (2012) Article DOI: 10.1021/ml300064v BindingDB Entry DOI: 10.7270/Q28W3FK6
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50441357 (CHEMBL2431805) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1 Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sienabiotech S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged Tankyrases 2 (unknown origin) by autoPARsylationassay				Eur J Med Chem 95: 526-45 (2015) Article DOI: 10.1016/j.ejmech.2015.03.055 BindingDB Entry DOI: 10.7270/Q28W3G1F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50441357 (CHEMBL2431805) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1 Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sienabiotech S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged Tankyrases 1 (unknown origin) by autoPARsylationassay				Eur J Med Chem 95: 526-45 (2015) Article DOI: 10.1016/j.ejmech.2015.03.055 BindingDB Entry DOI: 10.7270/Q28W3G1F
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32615 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 40d) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H45N5O3/c1-3-30(37-2)34(42)40-33-28(24-38-23-25-13-7-4-8-14-25)19-20-29-21-22-31(41(29)36(33)44)35(43)39-32(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,28-33,37-38H,3,19-24H2,1-2H3,(H,39,43)(H,40,42)/t28-,29+,30+,31+,33+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32589 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 18b | 1-...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H43N5O3/c1-2-29(36)33(41)39-32-27(23-37-22-24-12-6-3-7-13-24)18-19-28-20-21-30(40(28)35(32)43)34(42)38-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32,37H,2,18-23,36H2,1H3,(H,38,42)(H,39,41)/t27-,28+,29+,30+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM32589 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 18b | 1-...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H43N5O3/c1-2-29(36)33(41)39-32-27(23-37-22-24-12-6-3-7-13-24)18-19-28-20-21-30(40(28)35(32)43)34(42)38-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32,37H,2,18-23,36H2,1H3,(H,38,42)(H,39,41)/t27-,28+,29+,30+,32+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32603 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 28b) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(N)=S)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H38N6O3S/c1-2-22(30)26(36)34-25-20(17-32-29(31)39)13-14-21-15-16-23(35(21)28(25)38)27(37)33-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,30H2,1H3,(H,33,37)(H,34,36)(H3,31,32,39)/t20-,21+,22+,23+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32601 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 26d) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=S)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H44N6O3S/c1-2-29(37)33(43)41-32-27(23-39-36(46)38-22-24-12-6-3-7-13-24)18-19-28-20-21-30(42(28)35(32)45)34(44)40-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32H,2,18-23,37H2,1H3,(H,40,44)(H,41,43)(H2,38,39,46)/t27-,28+,29+,30+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32582 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 4b) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H39N5O3/c1-3-23(31-2)27(35)33-26-21(18-30)14-15-22-16-17-24(34(22)29(26)37)28(36)32-25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-26,31H,3,14-18,30H2,1-2H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32609 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 36b) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H43N5O4/c1-3-29(37-2)34(43)40-32-27(23-38-33(42)26-17-11-6-12-18-26)19-20-28-21-22-30(41(28)36(32)45)35(44)39-31(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h4-18,27-32,37H,3,19-23H2,1-2H3,(H,38,42)(H,39,44)(H,40,43)/t27-,28+,29+,30+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32588 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 18a | 1-...) Show SMILES CCNC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H41N5O3/c1-3-24(31)28(36)34-27-22(19-32-4-2)15-16-23-17-18-25(35(23)30(27)38)29(37)33-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22-27,32H,3-4,15-19,31H2,1-2H3,(H,33,37)(H,34,36)/t22-,23+,24+,25+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32595 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 22c | 1-...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H41N5O4/c1-2-28(36)33(42)39-31-26(22-37-32(41)25-16-10-5-11-17-25)18-19-27-20-21-29(40(27)35(31)44)34(43)38-30(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26-31H,2,18-22,36H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t26-,27+,28+,29+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32611 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 38b) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H46N6O4/c1-3-30(38-2)34(44)42-33-28(24-40-37(47)39-23-25-13-7-4-8-14-25)19-20-29-21-22-31(43(29)36(33)46)35(45)41-32(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,28-33,38H,3,19-24H2,1-2H3,(H,41,45)(H,42,44)(H2,39,40,47)/t28-,29+,30+,31+,33+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32613 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 40b) Show SMILES CCNC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@H](CC)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H43N5O3/c1-4-25(32-3)29(37)35-28-23(20-33-5-2)16-17-24-18-19-26(36(24)31(28)39)30(38)34-27(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,23-28,32-33H,4-5,16-20H2,1-3H3,(H,34,38)(H,35,37)/t23-,24+,25+,26+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32606 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 34a) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CCO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H38N4O4/c1-2-23(30)27(35)32-26-21(17-18-34)13-14-22-15-16-24(33(22)29(26)37)28(36)31-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-26,34H,2,13-18,30H2,1H3,(H,31,36)(H,32,35)/t21-,22+,23+,24+,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32589 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 18b | 1-...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H43N5O3/c1-2-29(36)33(41)39-32-27(23-37-22-24-12-6-3-7-13-24)18-19-28-20-21-30(40(28)35(32)43)34(42)38-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32,37H,2,18-23,36H2,1H3,(H,38,42)(H,39,41)/t27-,28+,29+,30+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32599 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 26b | 1-...) Show SMILES CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C36H44N6O4/c1-2-29(37)33(43)41-32-27(23-39-36(46)38-22-24-12-6-3-7-13-24)18-19-28-20-21-30(42(28)35(32)45)34(44)40-31(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,27-32H,2,18-23,37H2,1H3,(H,40,44)(H,41,43)(H2,38,39,46)/t27-,28+,29+,30+,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32600 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 26c) Show SMILES CCNC(=S)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H42N6O3S/c1-3-24(32)28(38)36-27-22(19-34-31(41)33-4-2)15-16-23-17-18-25(37(23)30(27)40)29(39)35-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22-27H,3-4,15-19,32H2,1-2H3,(H,35,39)(H,36,38)(H2,33,34,41)/t22-,23+,24+,25+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM32605 (1-aza-2-oxobicyclo[5.3.0]decane scaffold, 32b) Show SMILES CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H41N5O3/c1-3-24(32-2)28(36)34-27-22(18-19-31)14-15-23-16-17-25(35(23)30(27)38)29(37)33-26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-27,32H,3,14-19,31H2,1-2H3,(H,33,37)(H,34,36)/t22-,23+,24+,25+,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair

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