Compile Data Set for Download or QSAR

Found 552 hits with Last Name = 'brown' and Initial = 'mj'   

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
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117772 (CHEMBL10921 | N-(2-Diethylamino-ethyl)-2-[2-(4-flu...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H40F4N6O2S/c1-4-46(5-2)18-19-47(23-27-6-10-30(11-7-27)31-12-14-33(15-13-31)38(40,41)42)35(49)25-48-24-32(20-29-21-43-45(3)22-29)36(50)44-37(48)51-26-28-8-16-34(39)17-9-28/h6-17,21-22,24H,4-5,18-20,23,25-26H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Steady state and transient kinetics to a freely reversible, non-covalently bound, human recombinant Phospholipase A2 (rhLp-PLA2) was determined				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50125265 (CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Lp-PLA2				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202918 ((S)-N-(2-fluoro-3-(trifluoromethyl)benzyl)-5-(4-cy...) Show SMILES Fc1c(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)cccc1C(F)(F)F Show InChI InChI=1S/C43H47F4N5O5/c44-38-31(15-10-18-33(38)43(45,46)47)27-48-40(54)35(21-22-37(53)50-25-23-49(24-26-50)32-16-8-3-9-17-32)51-34(20-19-29-11-4-1-5-12-29)39(41(51)55)52-36(28-57-42(52)56)30-13-6-2-7-14-30/h1-2,4-7,10-15,18-20,32,34-36,39H,3,8-9,16-17,21-28H2,(H,48,54)/b20-19+/t34-,35+,36-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202900 ((S)-N-(3-(trifluoromethyl)benzyl)-5-(4-cyclohexylp...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)33-16-10-13-31(27-33)28-47-40(53)36(21-22-38(52)49-25-23-48(24-26-49)34-17-8-3-9-18-34)50-35(20-19-30-11-4-1-5-12-30)39(41(50)54)51-37(29-56-42(51)55)32-14-6-2-7-15-32/h1-2,4-7,10-16,19-20,27,34-37,39H,3,8-9,17-18,21-26,28-29H2,(H,47,53)/b20-19+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202920 (2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylme...) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C42H49N5O5/c1-30(32-16-8-3-9-17-32)43-40(49)36(28-38(48)45-26-22-34(23-27-45)44-24-12-5-13-25-44)46-35(21-20-31-14-6-2-7-15-31)39(41(46)50)47-37(29-52-42(47)51)33-18-10-4-11-19-33/h2-4,6-11,14-21,30,34-37,39H,5,12-13,22-29H2,1H3,(H,43,49)/b21-20+/t30-,35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202882 ((S)-N-(2,3-dichlorobenzyl)-5-(4-cyclohexylpiperazi...) Show SMILES Clc1cccc(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1Cl Show InChI InChI=1S/C42H47Cl2N5O5/c43-33-18-10-15-31(38(33)44)27-45-40(51)35(21-22-37(50)47-25-23-46(24-26-47)32-16-8-3-9-17-32)48-34(20-19-29-11-4-1-5-12-29)39(41(48)52)49-36(28-54-42(49)53)30-13-6-2-7-14-30/h1-2,4-7,10-15,18-20,32,34-36,39H,3,8-9,16-17,21-28H2,(H,45,51)/b20-19+/t34-,35+,36-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202902 ((S)-N-(2-fluoro-5-(trifluoromethyl)benzyl)-5-(4-cy...) Show SMILES Fc1ccc(cc1CNC(=O)[C@H](CCC(=O)N1CCN(CC1)C1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(F)(F)F Show InChI InChI=1S/C43H47F4N5O5/c44-34-18-17-32(43(45,46)47)26-31(34)27-48-40(54)36(20-21-38(53)50-24-22-49(23-25-50)33-14-8-3-9-15-33)51-35(19-16-29-10-4-1-5-11-29)39(41(51)55)52-37(28-57-42(52)56)30-12-6-2-7-13-30/h1-2,4-7,10-13,16-19,26,33,35-37,39H,3,8-9,14-15,20-25,27-28H2,(H,48,54)/b19-16+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202873 ((S)-N-(3-(trifluoromethyl)benzyl)-5-(4-(cyclohexyl...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCN(CC3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H50F3N5O5/c45-44(46,47)35-18-10-15-33(27-35)28-48-41(54)37(21-22-39(53)50-25-23-49(24-26-50)29-32-13-6-2-7-14-32)51-36(20-19-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-16-8-3-9-17-34/h1,3-5,8-12,15-20,27,32,36-38,40H,2,6-7,13-14,21-26,28-30H2,(H,48,54)/b20-19+/t36-,37+,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202916 ((S)-N-(3-fluoro-5-(trifluoromethyl)benzyl)-5-(4-cy...) Show SMILES Fc1cc(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C43H47F4N5O5/c44-33-25-30(24-32(26-33)43(45,46)47)27-48-40(54)36(18-19-38(53)50-22-20-49(21-23-50)34-14-8-3-9-15-34)51-35(17-16-29-10-4-1-5-11-29)39(41(51)55)52-37(28-57-42(52)56)31-12-6-2-7-13-31/h1-2,4-7,10-13,16-17,24-26,34-37,39H,3,8-9,14-15,18-23,27-28H2,(H,48,54)/b17-16+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50362873 (CHEMBL1940587) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(F)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48FN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter				Bioorg Med Chem 20: 1337-45 (2012) Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50362871 (CHEMBL1940588) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter				Bioorg Med Chem 20: 1337-45 (2012) Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202860 (2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylme...) Show SMILES CN(Cc1cccc(c1)C(F)(F)F)C(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O Show InChI InChI=1S/C43H48F3N5O5/c1-47(28-31-14-11-17-33(26-31)43(44,45)46)40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(29-56-42(51)55)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,34-37,39H,4,9-10,20-25,27-29H2,1H3/b19-18+/t35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202871 ((S)-N-(3-chlorobenzyl)-5-(4-cyclohexylpiperazin-1-...) Show SMILES Clc1cccc(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C42H48ClN5O5/c43-33-16-10-13-31(27-33)28-44-40(50)36(21-22-38(49)46-25-23-45(24-26-46)34-17-8-3-9-18-34)47-35(20-19-30-11-4-1-5-12-30)39(41(47)51)48-37(29-53-42(48)52)32-14-6-2-7-15-32/h1-2,4-7,10-16,19-20,27,34-37,39H,3,8-9,17-18,21-26,28-29H2,(H,44,50)/b20-19+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202877 ((S)-N-(3,5-difluorobenzyl)-5-(4-cyclohexylpiperazi...) Show SMILES Fc1cc(F)cc(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C42H47F2N5O5/c43-32-24-30(25-33(44)26-32)27-45-40(51)36(18-19-38(50)47-22-20-46(21-23-47)34-14-8-3-9-15-34)48-35(17-16-29-10-4-1-5-11-29)39(41(48)52)49-37(28-54-42(49)53)31-12-6-2-7-13-31/h1-2,4-7,10-13,16-17,24-26,34-37,39H,3,8-9,14-15,18-23,27-28H2,(H,45,51)/b17-16+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202869 ((S)-N-(2-(trifluoromethyl)benzyl)-5-(4-cyclohexylp...) Show SMILES FC(F)(F)c1ccccc1CNC(=O)[C@H](CCC(=O)N1CCN(CC1)C1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)34-19-11-10-16-32(34)28-47-40(53)36(22-23-38(52)49-26-24-48(25-27-49)33-17-8-3-9-18-33)50-35(21-20-30-12-4-1-5-13-30)39(41(50)54)51-37(29-56-42(51)55)31-14-6-2-7-15-31/h1-2,4-7,10-16,19-21,33,35-37,39H,3,8-9,17-18,22-29H2,(H,47,53)/b21-20+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50362872 (CHEMBL1940586) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(I)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C42H48IN5O5/c1-29(31-13-5-2-6-14-31)44-40(50)36(27-38(49)46-24-20-34(21-25-46)45-22-9-4-10-23-45)47-35(19-18-30-12-11-17-33(43)26-30)39(41(47)51)48-37(28-53-42(48)52)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,44,50)/b19-18+/t29-,35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter				Bioorg Med Chem 20: 1337-45 (2012) Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202858 (2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylme...) Show SMILES Fc1c(CNC(=O)[C@H](CC(=O)N2CCC(CC2)N2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)cccc1C(F)(F)F Show InChI InChI=1S/C42H45F4N5O5/c43-37-30(15-10-16-32(37)42(44,45)46)26-47-39(53)34(25-36(52)49-23-19-31(20-24-49)48-21-8-3-9-22-48)50-33(18-17-28-11-4-1-5-12-28)38(40(50)54)51-35(27-56-41(51)55)29-13-6-2-7-14-29/h1-2,4-7,10-18,31,33-35,38H,3,8-9,19-27H2,(H,47,53)/b18-17+/t33-,34+,35-,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202864 (4-amino-1-benzyl-1-[(3S)-3-[(3S,4R)-2-oxo-3-[(4S)-...) Show SMILES NC1CC[N+](Cc2ccccc2)(CC1)C(=O)C[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |wU:19.21,28.31,30.38,17.19,(23.16,5.98,;23.43,4.47,;24.88,3.94,;25.14,2.42,;23.96,1.43,;25.14,.44,;26.59,.98,;27.76,-.01,;29.21,.51,;29.48,2.02,;28.3,3.02,;26.85,2.49,;22.52,1.97,;22.24,3.48,;23.19,.1,;23.96,-1.23,;21.65,.1,;20.88,-1.23,;19.35,-1.23,;18.25,-.14,;18.25,1.4,;19.59,2.17,;19.59,3.71,;20.92,4.47,;20.92,6.02,;19.59,6.78,;18.25,6.02,;18.25,4.47,;17.17,-1.23,;15.63,-1.23,;14.72,-2.47,;13.26,-1.99,;13.26,-.46,;14.72,.02,;15.2,1.48,;15.2,-3.94,;14.17,-5.08,;14.64,-6.54,;16.15,-6.86,;17.18,-5.72,;16.71,-4.26,;18.25,-2.32,;18.25,-3.85,;21.65,-2.56,;20.88,-3.89,;23.19,-2.56,;23.97,-3.89,;25.5,-3.89,;26.28,-2.56,;27.81,-2.56,;28.59,-3.89,;27.81,-5.23,;26.28,-5.23,;28.59,-6.56,;29.92,-5.79,;27.25,-7.33,;29.35,-7.89,)| Show InChI InChI=1S/C44H44F3N5O5/c45-44(46,47)34-18-10-15-32(25-34)27-49-41(54)37(26-39(53)52(23-21-35(48)22-24-52)28-31-13-6-2-7-14-31)50-36(20-19-30-11-4-1-5-12-30)40(42(50)55)51-38(29-57-43(51)56)33-16-8-3-9-17-33/h1-20,25,35-38,40H,21-24,26-29,48H2/p+1/b20-19+/t35?,36-,37+,38-,40+,52?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202899 (CHEMBL241826 | N-(3-(trifluoromethyl)benzyl)-3-oxo...) Show SMILES FC(F)(F)c1cccc(CNC(=O)C(N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCC(CCN3CCCCC3)CC2)c1 |w:13.13| Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)34-16-10-13-32(27-34)28-47-39(52)38(40(53)49-25-20-31(21-26-49)19-24-48-22-8-3-9-23-48)50-35(18-17-30-11-4-1-5-12-30)37(41(50)54)51-36(29-56-42(51)55)33-14-6-2-7-15-33/h1-2,4-7,10-18,27,31,35-38H,3,8-9,19-26,28-29H2,(H,47,52)/b18-17+/t35-,36-,37+,38?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202892 ((S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCN(CCc3ccccc3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C45H46F3N5O5/c46-45(47,48)36-18-10-15-34(29-36)30-49-42(55)38(21-22-40(54)51-27-25-50(26-28-51)24-23-33-13-6-2-7-14-33)52-37(20-19-32-11-4-1-5-12-32)41(43(52)56)53-39(31-58-44(53)57)35-16-8-3-9-17-35/h1-20,29,37-39,41H,21-28,30-31H2,(H,49,55)/b20-19+/t37-,38+,39-,41+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202851 ((S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)...) Show SMILES CCCN1CCN(CC1)C(=O)CC[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C40H44F3N5O5/c1-2-20-45-21-23-46(24-22-45)35(49)19-18-33(37(50)44-26-29-12-9-15-31(25-29)40(41,42)43)47-32(17-16-28-10-5-3-6-11-28)36(38(47)51)48-34(27-53-39(48)52)30-13-7-4-8-14-30/h3-17,25,32-34,36H,2,18-24,26-27H2,1H3,(H,44,50)/b17-16+/t32-,33+,34-,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202910 (2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylme...) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C43H48F3N5O5/c1-29(32-16-11-17-33(26-32)43(44,45)46)47-40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(28-56-42(51)55)31-14-7-3-8-15-31/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,47,53)/b19-18+/t29-,35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202852 ((S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCC(CC2)N2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)33-16-10-13-31(27-33)28-47-40(53)36(19-20-38(52)49-25-21-34(22-26-49)48-23-8-3-9-24-48)50-35(18-17-30-11-4-1-5-12-30)39(41(50)54)51-37(29-56-42(51)55)32-14-6-2-7-15-32/h1-2,4-7,10-18,27,34-37,39H,3,8-9,19-26,28-29H2,(H,47,53)/b18-17+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202905 (2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylme...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CC(=O)N2CCC(CC2)N2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C42H46F3N5O5/c43-42(44,45)32-16-10-13-30(25-32)27-46-39(52)35(26-37(51)48-23-19-33(20-24-48)47-21-8-3-9-22-47)49-34(18-17-29-11-4-1-5-12-29)38(40(49)53)50-36(28-55-41(50)54)31-14-6-2-7-15-31/h1-2,4-7,10-18,25,33-36,38H,3,8-9,19-24,26-28H2,(H,46,52)/b18-17+/t34-,35-,36-,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202922 ((S)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)N2CCC(CC2)N2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C42H46F3N5O5/c43-42(44,45)32-16-10-13-30(25-32)27-46-39(52)35(26-37(51)48-23-19-33(20-24-48)47-21-8-3-9-22-47)49-34(18-17-29-11-4-1-5-12-29)38(40(49)53)50-36(28-55-41(50)54)31-14-6-2-7-15-31/h1-2,4-7,10-18,25,33-36,38H,3,8-9,19-24,26-28H2,(H,46,52)/b18-17+/t34-,35+,36-,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202915 ((S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCC(CN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H50F3N5O5/c45-44(46,47)35-16-10-13-33(27-35)28-48-41(54)37(19-20-39(53)50-25-21-32(22-26-50)29-49-23-8-3-9-24-49)51-36(18-17-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-14-6-2-7-15-34/h1-2,4-7,10-18,27,32,36-38,40H,3,8-9,19-26,28-30H2,(H,48,54)/b18-17+/t36-,37+,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202849 (CHEMBL439398 | N-(3-(trifluoromethyl)benzyl)-3-oxo...) Show SMILES FC(F)(F)c1cccc(CNC(=O)C(N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCC(CC2)N2CCCCC2)c1 |w:13.13| Show InChI InChI=1S/C41H44F3N5O5/c42-41(43,44)31-16-10-13-29(25-31)26-45-37(50)36(38(51)47-23-19-32(20-24-47)46-21-8-3-9-22-46)48-33(18-17-28-11-4-1-5-12-28)35(39(48)52)49-34(27-54-40(49)53)30-14-6-2-7-15-30/h1-2,4-7,10-18,25,32-36H,3,8-9,19-24,26-27H2,(H,45,50)/b18-17+/t33-,34-,35+,36?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202844 ((3S)-3-amino-1-benzyl-1-[(3S)-3-[(3S,4R)-2-oxo-3-[...) Show SMILES N[C@H]1CC[N+](Cc2ccccc2)(C1)C(=O)C[C@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |w:4.4| Show InChI InChI=1S/C43H42F3N5O5/c44-43(45,46)33-18-10-15-31(23-33)25-48-40(53)36(24-38(52)51(22-21-34(47)27-51)26-30-13-6-2-7-14-30)49-35(20-19-29-11-4-1-5-12-29)39(41(49)54)50-37(28-56-42(50)55)32-16-8-3-9-17-32/h1-20,23,34-37,39H,21-22,24-28,47H2/p+1/b20-19+/t34-,35+,36-,37+,39-,51?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202842 ((R)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CC(=O)N2CCC(CN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)34-16-10-13-32(25-34)27-47-40(53)36(26-38(52)49-23-19-31(20-24-49)28-48-21-8-3-9-22-48)50-35(18-17-30-11-4-1-5-12-30)39(41(50)54)51-37(29-56-42(51)55)33-14-6-2-7-15-33/h1-2,4-7,10-18,25,31,35-37,39H,3,8-9,19-24,26-29H2,(H,47,53)/b18-17+/t35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202909 ((S)-N-(3,5-bis(trifluoromethyl)benzyl)-5-(4-cycloh...) Show SMILES FC(F)(F)c1cc(CNC(=O)[C@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C44H47F6N5O5/c45-43(46,47)32-24-30(25-33(26-32)44(48,49)50)27-51-40(57)36(18-19-38(56)53-22-20-52(21-23-53)34-14-8-3-9-15-34)54-35(17-16-29-10-4-1-5-11-29)39(41(54)58)55-37(28-60-42(55)59)31-12-6-2-7-13-31/h1-2,4-7,10-13,16-17,24-26,34-37,39H,3,8-9,14-15,18-23,27-28H2,(H,51,57)/b17-16+/t35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202906 ((S)-N-(3-(trifluoromethyl)benzyl)-4-(4-benzyl-1,4-...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)N2CCCN(Cc3ccccc3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H44F3N5O5/c45-44(46,47)35-19-10-16-33(26-35)28-48-41(54)37(27-39(53)50-23-11-22-49(24-25-50)29-32-14-6-2-7-15-32)51-36(21-20-31-12-4-1-5-13-31)40(42(51)55)52-38(30-57-43(52)56)34-17-8-3-9-18-34/h1-10,12-21,26,36-38,40H,11,22-25,27-30H2,(H,48,54)/b21-20+/t36-,37+,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202903 (4-amino-1-benzyl-1-[(3R)-3-[(3S,4R)-2-oxo-3-[(4S)-...) Show SMILES NC1CC[N+](Cc2ccccc2)(CC1)C(=O)C[C@@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |wU:19.21,28.31,30.38,wD:17.19,(30.85,-34.72,;31.11,-36.24,;32.55,-36.77,;32.82,-38.28,;31.63,-39.25,;32.81,-40.25,;34.26,-39.73,;35.43,-40.72,;36.86,-40.21,;37.14,-38.7,;35.96,-37.71,;34.53,-38.23,;30.2,-38.74,;29.93,-37.22,;30.86,-40.6,;31.63,-41.93,;29.32,-40.6,;28.55,-41.93,;27,-41.93,;25.91,-40.85,;25.91,-39.3,;27.24,-38.54,;27.24,-36.99,;28.57,-36.23,;28.57,-34.68,;27.24,-33.91,;25.9,-34.68,;25.9,-36.23,;24.83,-41.93,;23.28,-41.93,;22.37,-43.18,;20.91,-42.7,;20.91,-41.17,;22.37,-40.69,;22.85,-39.22,;22.85,-44.65,;21.81,-45.79,;22.29,-47.26,;23.79,-47.58,;24.83,-46.43,;24.36,-44.97,;25.91,-43.03,;25.91,-44.57,;29.32,-43.26,;28.55,-44.59,;30.86,-43.26,;31.63,-44.6,;33.18,-44.6,;33.95,-43.27,;35.49,-43.27,;36.26,-44.6,;35.49,-45.94,;33.95,-45.94,;36.26,-47.27,;37.59,-46.5,;34.92,-48.05,;37.03,-48.61,)| Show InChI InChI=1S/C44H44F3N5O5/c45-44(46,47)34-18-10-15-32(25-34)27-49-41(54)37(26-39(53)52(23-21-35(48)22-24-52)28-31-13-6-2-7-14-31)50-36(20-19-30-11-4-1-5-12-30)40(42(50)55)51-38(29-57-43(51)56)33-16-8-3-9-17-33/h1-20,25,35-38,40H,21-24,26-29,48H2/p+1/b20-19+/t35?,36-,37-,38-,40+,52?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202881 ((R)-N-(3-(trifluoromethyl)benzyl)-5-(4-cyclohexylp...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CCC(=O)N2CCN(CC2)C2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C43H48F3N5O5/c44-43(45,46)33-16-10-13-31(27-33)28-47-40(53)36(21-22-38(52)49-25-23-48(24-26-49)34-17-8-3-9-18-34)50-35(20-19-30-11-4-1-5-12-30)39(41(50)54)51-37(29-56-42(51)55)32-14-6-2-7-15-32/h1-2,4-7,10-16,19-20,27,34-37,39H,3,8-9,17-18,21-26,28-29H2,(H,47,53)/b20-19+/t35-,36-,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202862 (2(R)-[[4-(piperidin-1-yl)piperidin-1-yl]carbonylme...) Show SMILES C[C@@H](NC(=O)[C@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C43H48F3N5O5/c1-29(32-16-11-17-33(26-32)43(44,45)46)47-40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(28-56-42(51)55)31-14-7-3-8-15-31/h2-3,5-8,11-19,26,29,34-37,39H,4,9-10,20-25,27-28H2,1H3,(H,47,53)/b19-18+/t29-,35-,36+,37-,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202914 (CHEMBL395778 | N-(3-(trifluoromethyl)benzyl)-3-(4-...) Show SMILES CCCCN1CCN(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |w:12.13| Show InChI InChI=1S/C39H42F3N5O5/c1-2-3-19-44-20-22-45(23-21-44)36(49)34(35(48)43-25-28-13-10-16-30(24-28)39(40,41)42)46-31(18-17-27-11-6-4-7-12-27)33(37(46)50)47-32(26-52-38(47)51)29-14-8-5-9-15-29/h4-18,24,31-34H,2-3,19-23,25-26H2,1H3,(H,43,48)/b18-17+/t31-,32-,33+,34?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202879 ((R)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CC(=O)N2CCC(CCN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H50F3N5O5/c45-44(46,47)35-16-10-13-33(27-35)29-48-41(54)37(28-39(53)50-25-20-32(21-26-50)19-24-49-22-8-3-9-23-49)51-36(18-17-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-14-6-2-7-15-34/h1-2,4-7,10-18,27,32,36-38,40H,3,8-9,19-26,28-30H2,(H,48,54)/b18-17+/t36-,37-,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202866 (2(R)-[[ 4-[2-(1-piperidinyl)ethyl]piperidin-1-yl]c...) Show SMILES C[C@H](NC(=O)[C@H](CC(=O)N1CCC(CCN2CCCCC2)CC1)N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 Show InChI InChI=1S/C44H53N5O5/c1-32(35-16-8-3-9-17-35)45-42(51)38(30-40(50)47-28-23-34(24-29-47)22-27-46-25-12-5-13-26-46)48-37(21-20-33-14-6-2-7-15-33)41(43(48)52)49-39(31-54-44(49)53)36-18-10-4-11-19-36/h2-4,6-11,14-21,32,34,37-39,41H,5,12-13,22-31H2,1H3,(H,45,51)/b21-20+/t32-,37+,38-,39+,41-/m0/s1	PDB UniProtKB/SwissProt 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
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202872 ((S)-N1-(3-(trifluoromethyl)benzyl)-2-((3S,4R)-2-ox...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)NCCN2CCCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C40H44F3N5O5/c41-40(42,43)31-16-10-13-29(25-31)26-45-37(50)33(19-20-35(49)44-21-24-46-22-8-3-9-23-46)47-32(18-17-28-11-4-1-5-12-28)36(38(47)51)48-34(27-53-39(48)52)30-14-6-2-7-15-30/h1-2,4-7,10-18,25,32-34,36H,3,8-9,19-24,26-27H2,(H,44,49)(H,45,50)/b18-17+/t32-,33+,34-,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8296 (3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	-45.4	34.3	n/a	n/a	n/a	n/a	7.0	22
SmithKline Beecham Pharmaceuticals					Assay Description In vitro kinase inhibition assay using purified GSK-3 alpha from insect cells, was incubated at room temperature with substrate, and test compounds i...				Chem Biol 7: 793-803 (2000) Article DOI: 10.1016/s1074-5521(00)00025-9 BindingDB Entry DOI: 10.7270/Q2M32T0X
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202843 ((S)-N-(3-(trifluoromethyl)benzyl)-5-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCC(=O)N2CCC(CCN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C45H52F3N5O5/c46-45(47,48)36-16-10-13-34(29-36)30-49-42(55)38(19-20-40(54)51-27-22-33(23-28-51)21-26-50-24-8-3-9-25-50)52-37(18-17-32-11-4-1-5-12-32)41(43(52)56)53-39(31-58-44(53)57)35-14-6-2-7-15-35/h1-2,4-7,10-18,29,33,37-39,41H,3,8-9,19-28,30-31H2,(H,49,55)/b18-17+/t37-,38+,39-,41+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202891 ((R)-N-(3-(trifluoromethyl)benzyl)-5-(4-butylpipera...) Show SMILES CCCCN1CCN(CC1)C(=O)CC[C@@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C41H46F3N5O5/c1-2-3-21-46-22-24-47(25-23-46)36(50)20-19-34(38(51)45-27-30-13-10-16-32(26-30)41(42,43)44)48-33(18-17-29-11-6-4-7-12-29)37(39(48)52)49-35(28-54-40(49)53)31-14-8-5-9-15-31/h4-18,26,33-35,37H,2-3,19-25,27-28H2,1H3,(H,45,51)/b18-17+/t33-,34-,35-,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202908 ((R)-N-(3-(trifluoromethyl)benzyl)-5-(4-(cyclohexyl...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CCC(=O)N2CCN(CC3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H50F3N5O5/c45-44(46,47)35-18-10-15-33(27-35)28-48-41(54)37(21-22-39(53)50-25-23-49(24-26-50)29-32-13-6-2-7-14-32)51-36(20-19-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-16-8-3-9-17-34/h1,3-5,8-12,15-20,27,32,36-38,40H,2,6-7,13-14,21-26,28-30H2,(H,48,54)/b20-19+/t36-,37-,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202897 ((R)-N-(3-(trifluoromethyl)benzyl)-5-(4-isopropylpi...) Show SMILES CC(C)N1CCN(CC1)C(=O)CC[C@@H](N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C40H44F3N5O5/c1-27(2)45-20-22-46(23-21-45)35(49)19-18-33(37(50)44-25-29-12-9-15-31(24-29)40(41,42)43)47-32(17-16-28-10-5-3-6-11-28)36(38(47)51)48-34(26-53-39(48)52)30-13-7-4-8-14-30/h3-17,24,27,32-34,36H,18-23,25-26H2,1-2H3,(H,44,50)/b17-16+/t32-,33-,34-,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202890 (4-amino-1-benzyl-1-{2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo...) Show SMILES NC1CC[N+](Cc2ccccc2)(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |w:16.18| Show InChI InChI=1S/C43H42F3N5O5/c44-43(45,46)33-18-10-15-31(25-33)26-48-39(52)38(41(54)51(23-21-34(47)22-24-51)27-30-13-6-2-7-14-30)49-35(20-19-29-11-4-1-5-12-29)37(40(49)53)50-36(28-56-42(50)55)32-16-8-3-9-17-32/h1-20,25,34-38H,21-24,26-28,47H2/p+1/b20-19+/t34?,35-,36-,37+,38?,51?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202853 (CHEMBL396756 | N-(3-(trifluoromethyl)benzyl)-3-(4-...) Show SMILES CC(C)N1CCN(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |w:11.12| Show InChI InChI=1S/C38H40F3N5O5/c1-25(2)43-18-20-44(21-19-43)35(48)33(34(47)42-23-27-12-9-15-29(22-27)38(39,40)41)45-30(17-16-26-10-5-3-6-11-26)32(36(45)49)46-31(24-51-37(46)50)28-13-7-4-8-14-28/h3-17,22,25,30-33H,18-21,23-24H2,1-2H3,(H,42,47)/b17-16+/t30-,31-,32+,33?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of GSK3beta expressed in Escherichia coli or baculovirus-infected insect cells using ATP as substrate by fluorescence polarization assay				J Med Chem 54: 5131-43 (2011) Article DOI: 10.1021/jm200349b BindingDB Entry DOI: 10.7270/Q2F47PHP
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202846 ((S)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)N2CCC(CCN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H50F3N5O5/c45-44(46,47)35-16-10-13-33(27-35)29-48-41(54)37(28-39(53)50-25-20-32(21-26-50)19-24-49-22-8-3-9-23-49)51-36(18-17-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-14-6-2-7-15-34/h1-2,4-7,10-18,27,32,36-38,40H,3,8-9,19-26,28-30H2,(H,48,54)/b18-17+/t36-,37+,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202846 ((S)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CC(=O)N2CCC(CCN3CCCCC3)CC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C44H50F3N5O5/c45-44(46,47)35-16-10-13-33(27-35)29-48-41(54)37(28-39(53)50-25-20-32(21-26-50)19-24-49-22-8-3-9-23-49)51-36(18-17-31-11-4-1-5-12-31)40(42(51)55)52-38(30-57-43(52)56)34-14-6-2-7-15-34/h1-2,4-7,10-18,27,32,36-38,40H,3,8-9,19-26,28-30H2,(H,48,54)/b18-17+/t36-,37+,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202859 (CHEMBL396757 | N-(3-(trifluoromethyl)benzyl)-3-(4-...) Show SMILES FC(F)(F)c1cccc(CNC(=O)C(N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)C(=O)N2CCN(CC2)C2CCCCC2)c1 |w:13.13| Show InChI InChI=1S/C41H44F3N5O5/c42-41(43,44)31-16-10-13-29(25-31)26-45-37(50)36(38(51)47-23-21-46(22-24-47)32-17-8-3-9-18-32)48-33(20-19-28-11-4-1-5-12-28)35(39(48)52)49-34(27-54-40(49)53)30-14-6-2-7-15-30/h1-2,4-7,10-16,19-20,25,32-36H,3,8-9,17-18,21-24,26-27H2,(H,45,50)/b20-19+/t33-,34-,35+,36?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50202912 ((R)-N-(3-(trifluoromethyl)benzyl)-4-oxo-2-((3S,4R)...) Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@@H](CC(=O)N2CCN(CC2)N2CCCC2)N2[C@H](\C=C\c3ccccc3)[C@H](N3[C@H](COC3=O)c3ccccc3)C2=O)c1 Show InChI InChI=1S/C40H43F3N6O5/c41-40(42,43)31-15-9-12-29(24-31)26-44-37(51)33(25-35(50)45-20-22-47(23-21-45)46-18-7-8-19-46)48-32(17-16-28-10-3-1-4-11-28)36(38(48)52)49-34(27-54-39(49)53)30-13-5-2-6-14-30/h1-6,9-17,24,32-34,36H,7-8,18-23,25-27H2,(H,44,51)/b17-16+/t32-,33-,34-,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells				Bioorg Med Chem 15: 2054-80 (2007) Article DOI: 10.1016/j.bmc.2006.12.031 BindingDB Entry DOI: 10.7270/Q2GX4B6M
					More data for this Ligand-Target Pair

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