Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'vaccaro' and Initial = 'ha'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264895 (5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells assessed as reversal of N-alpha-methylhistamine-induced inhibition of fo...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264895 (5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264934 (5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50264895 (5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to mouse histamine H3 receptor				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265014 (1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES OC1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C26H27FN4O2/c27-19-5-10-25-24(18-19)29-26(23-4-1-2-13-28-23)31(25)20-6-8-22(9-7-20)33-17-3-14-30-15-11-21(32)12-16-30/h1-2,4-10,13,18,21,32H,3,11-12,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264932 (1-(4-(3-(4-benzylpiperidin-1-yl)propoxy)phenyl)-5-...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C33H33FN4O/c34-27-10-15-32-31(24-27)36-33(30-9-4-5-18-35-30)38(32)28-11-13-29(14-12-28)39-22-6-19-37-20-16-26(17-21-37)23-25-7-2-1-3-8-25/h1-5,7-15,18,24,26H,6,16-17,19-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265094 (2-(ethylthio)-5-fluoro-1-(4-(3-(piperidin-1-yl)pro...) Show SMILES CCSC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30FN3OS/c1-2-29-23-25-21-17-18(24)7-12-22(21)27(23)19-8-10-20(11-9-19)28-16-6-15-26-13-4-3-5-14-26/h7-12,17,23,25H,2-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264897 (4-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264977 (5-fluoro-1-(4-(3-(4-methyl-1,4-diazepan-1-yl)propo...) Show SMILES CN1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C27H30FN5O/c1-31-14-4-15-32(18-17-31)16-5-19-34-23-10-8-22(9-11-23)33-26-12-7-21(28)20-25(26)30-27(33)24-6-2-3-13-29-24/h2-3,6-13,20H,4-5,14-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264974 ((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...) Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r| Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264935 (1-(4-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propo...) Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-n1c(nc2cc(F)ccc12)-c1ccccn1 |r| Show InChI InChI=1S/C27H29FN4O/c1-19-7-8-20(2)31(19)16-5-17-33-23-12-10-22(11-13-23)32-26-14-9-21(28)18-25(26)30-27(32)24-6-3-4-15-29-24/h3-4,6,9-15,18-20H,5,7-8,16-17H2,1-2H3/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264976 (1-(4-(3-(azepan-1-yl)propoxy)phenyl)-5-fluoro-2-(p...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C27H29FN4O/c28-21-9-14-26-25(20-21)30-27(24-8-3-4-15-29-24)32(26)22-10-12-23(13-11-22)33-19-7-18-31-16-5-1-2-6-17-31/h3-4,8-15,20H,1-2,5-7,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265093 (5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1...) Show SMILES Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=S)[nH]c2c1 Show InChI InChI=1S/C21H24FN3OS/c22-16-5-10-20-19(15-16)23-21(27)25(20)17-6-8-18(9-7-17)26-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265052 (5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1...) Show SMILES Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-10-20-19(15-16)23-21(26)25(20)17-6-8-18(9-7-17)27-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265050 (1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES NC(=O)C1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 Show InChI InChI=1S/C27H28FN5O2/c28-20-7-12-25-24(17-20)31-27(23-6-1-2-13-30-23)33(25)21-8-10-22(11-9-21)35-16-4-15-32-14-3-5-19(18-32)26(29)34/h1-2,6-13,17,19H,3-5,14-16,18H2,(H2,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264896 (1-(4-(3-(3,5-dimethylpiperidin-1-yl)propoxy)phenyl...) Show SMILES CC1CC(C)CN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 Show InChI InChI=1S/C28H31FN4O/c1-20-16-21(2)19-32(18-20)14-5-15-34-24-10-8-23(9-11-24)33-27-12-7-22(29)17-26(27)31-28(33)25-6-3-4-13-30-25/h3-4,6-13,17,20-21H,5,14-16,18-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264933 (5-fluoro-1-(4-(3-(4-methylpiperazin-1-yl)propoxy)p...) Show SMILES CN1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C26H28FN5O/c1-30-14-16-31(17-15-30)13-4-18-33-22-9-7-21(8-10-22)32-25-11-6-20(27)19-24(25)29-26(32)23-5-2-3-12-28-23/h2-3,5-12,19H,4,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265095 (2-ethoxy-5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)...) Show SMILES CCOC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30FN3O2/c1-2-28-23-25-21-17-18(24)7-12-22(21)27(23)19-8-10-20(11-9-19)29-16-6-15-26-13-4-3-5-14-26/h7-12,17,23,25H,2-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299342 (CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265015 (CHEMBL497575 | methyl 1-(3-(4-(5-fluoro-2-(pyridin...) Show SMILES COC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C28H29FN4O3/c1-35-28(34)20-12-16-32(17-13-20)15-4-18-36-23-9-7-22(8-10-23)33-26-11-6-21(29)19-25(26)31-27(33)24-5-2-3-14-30-24/h2-3,5-11,14,19-20H,4,12-13,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265014 (1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES OC1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C26H27FN4O2/c27-19-5-10-25-24(18-19)29-26(23-4-1-2-13-28-23)31(25)20-6-8-22(9-7-20)33-17-3-14-30-15-11-21(32)12-16-30/h1-2,4-10,13,18,21,32H,3,11-12,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265049 (1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES NC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C27H28FN5O2/c28-20-5-10-25-24(18-20)31-27(23-4-1-2-13-30-23)33(25)21-6-8-22(9-7-21)35-17-3-14-32-15-11-19(12-16-32)26(29)34/h1-2,4-10,13,18-19H,3,11-12,14-17H2,(H2,29,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50264975 (3-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCSC2)cc1 Show InChI InChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299342 (CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50299343 ((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299349 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S3/c1-37-25-11-12-29(28(20-25)38-2)41(35,36)32-24(10-9-22-6-3-4-8-27(22)32)15-19-40(33,34)31-16-13-23(14-17-31)30-21-26-7-5-18-39-26/h3-8,11-12,18,20,23-24,30H,9-10,13-17,19,21H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50264974 ((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...) Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r| Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299358 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCC(C)C)CCc2ccccc12 Show InChI InChI=1S/C29H43N3O6S2/c1-22(2)13-17-30-24-14-18-31(19-15-24)39(33,34)20-16-25-10-9-23-7-5-6-8-27(23)32(25)40(35,36)29-12-11-26(37-3)21-28(29)38-4/h5-8,11-12,21-22,24-25,30H,9-10,13-20H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50299350 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccsc2)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S3/c1-37-26-9-10-29(28(19-26)38-2)41(35,36)32-25(8-7-23-5-3-4-6-27(23)32)14-18-40(33,34)31-15-11-24(12-16-31)30-20-22-13-17-39-21-22/h3-6,9-10,13,17,19,21,24-25,30H,7-8,11-12,14-16,18,20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299358 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCC(C)C)CCc2ccccc12 Show InChI InChI=1S/C29H43N3O6S2/c1-22(2)13-17-30-24-14-18-31(19-15-24)39(33,34)20-16-25-10-9-23-7-5-6-8-27(23)32(25)40(35,36)29-12-11-26(37-3)21-28(29)38-4/h5-8,11-12,21-22,24-25,30H,9-10,13-20H2,1-4H3	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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50264975 (3-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCSC2)cc1 Show InChI InChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299342 (CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265015 (CHEMBL497575 | methyl 1-(3-(4-(5-fluoro-2-(pyridin...) Show SMILES COC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C28H29FN4O3/c1-35-28(34)20-12-16-32(17-13-20)15-4-18-36-23-9-7-22(8-10-23)33-26-11-6-21(29)19-25(26)31-27(33)24-5-2-3-14-30-24/h2-3,5-11,14,19-20H,4,12-13,15-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299341 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCOCC2)CCc2ccccc12 Show InChI InChI=1S/C30H43N3O7S2/c1-38-27-9-10-30(29(21-27)39-2)42(36,37)33-26(8-7-24-5-3-4-6-28(24)33)15-20-41(34,35)32-16-11-25(12-17-32)31-22-23-13-18-40-19-14-23/h3-6,9-10,21,23,25-26,31H,7-8,11-20,22H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50264897 (4-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299359 (CHEMBL575797 | N-(cyclopropylmethyl)-1-(2-(1-(2,4-...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CC2)CCc2ccccc12 Show InChI InChI=1S/C28H39N3O6S2/c1-36-25-11-12-28(27(19-25)37-2)39(34,35)31-24(10-9-22-5-3-4-6-26(22)31)15-18-38(32,33)30-16-13-23(14-17-30)29-20-21-7-8-21/h3-6,11-12,19,21,23-24,29H,7-10,13-18,20H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299349 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S3/c1-37-25-11-12-29(28(20-25)38-2)41(35,36)32-24(10-9-22-6-3-4-8-27(22)32)15-19-40(33,34)31-16-13-23(14-17-31)30-21-26-7-5-18-39-26/h3-8,11-12,18,20,23-24,30H,9-10,13-17,19,21H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50264895 (5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299342 (CHEMBL1204126 | CHEMBL1204403 | CHEMBL572709 | N-(...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12 Show InChI InChI=1S/C31H45N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h6-7,10-11,14-15,22,24,26-27,32H,3-5,8-9,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299359 (CHEMBL575797 | N-(cyclopropylmethyl)-1-(2-(1-(2,4-...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CC2)CCc2ccccc12 Show InChI InChI=1S/C28H39N3O6S2/c1-36-25-11-12-28(27(19-25)37-2)39(34,35)31-24(10-9-22-5-3-4-6-26(22)31)15-18-38(32,33)30-16-13-23(14-17-30)29-20-21-7-8-21/h3-6,11-12,19,21,23-24,29H,7-10,13-18,20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299351 (CHEMBL583083 | N-benzyl-1-(2-(1-(2,4-dimethoxyphen...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccccc2)CCc2ccccc12 Show InChI InChI=1S/C31H39N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h3-11,14-15,22,26-27,32H,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (RAT)	BDBM50299356 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCCc2ccccc2)CCc2ccccc12 Show InChI InChI=1S/C32H41N3O6S2/c1-40-29-14-15-32(31(24-29)41-2)43(38,39)35-28(13-12-26-10-6-7-11-30(26)35)19-23-42(36,37)34-21-17-27(18-22-34)33-20-16-25-8-4-3-5-9-25/h3-11,14-15,24,27-28,33H,12-13,16-23H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265012 (2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C30H27FN4O/c31-24-9-14-29-28(20-24)33-30(27-8-3-4-16-32-27)35(29)25-10-12-26(13-11-25)36-19-5-17-34-18-15-22-6-1-2-7-23(22)21-34/h1-4,6-14,16,20H,5,15,17-19,21H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299350 (1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetr...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccsc2)CCc2ccccc12 Show InChI InChI=1S/C29H37N3O6S3/c1-37-26-9-10-29(28(19-26)38-2)41(35,36)32-25(8-7-23-5-3-4-6-27(23)32)14-18-40(33,34)31-15-11-24(12-16-31)30-20-22-13-17-39-21-22/h3-6,9-10,13,17,19,21,24-25,30H,7-8,11-12,14-16,18,20H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265051 (3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazo...) Show SMILES CNCCCOc1ccc(cc1)-n1c(nc2cc(F)ccc12)-c1ccccn1 Show InChI InChI=1S/C22H21FN4O/c1-24-12-4-14-28-18-9-7-17(8-10-18)27-21-11-6-16(23)15-20(21)26-22(27)19-5-2-3-13-25-19/h2-3,5-11,13,15,24H,4,12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50299351 (CHEMBL583083 | N-benzyl-1-(2-(1-(2,4-dimethoxyphen...) Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCc2ccccc2)CCc2ccccc12 Show InChI InChI=1S/C31H39N3O6S2/c1-39-28-14-15-31(30(22-28)40-2)42(37,38)34-27(13-12-25-10-6-7-11-29(25)34)18-21-41(35,36)33-19-16-26(17-20-33)32-23-24-8-4-3-5-9-24/h3-11,14-15,22,26-27,32H,12-13,16-21,23H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter				Bioorg Med Chem Lett 19: 6018-22 (2009) Article DOI: 10.1016/j.bmcl.2009.09.050 BindingDB Entry DOI: 10.7270/Q2J9679W
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50265012 (2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...) Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C30H27FN4O/c31-24-9-14-29-28(20-24)33-30(27-8-3-4-16-32-27)35(29)25-10-12-26(13-11-25)36-19-5-17-34-18-15-22-6-1-2-7-23(22)21-34/h1-4,6-14,16,20H,5,15,17-19,21H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting				Bioorg Med Chem Lett 18: 5032-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.008 BindingDB Entry DOI: 10.7270/Q2CZ370Q
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 163 total )  |  Next  |  Last  >>

Jump to: