Compile Data Set for Download or QSAR

Found 392 hits with Last Name = 'sum' and Initial = 'fw'   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098668 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...) Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098668 (4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...) Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50070156 ((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...) Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50002134 (5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098654 ((4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-16(4-7-20(19)28)21(29)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)23(32)25-14-22(30)31/h2-7,12,17,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,32)(H,30,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098661 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C26H36N4O7S/c1-16(2)24(26(34)35)28-25(33)17-4-7-20(8-5-17)30-12-10-19(11-13-30)27-15-23(32)18-6-9-22(31)21(14-18)29-38(3,36)37/h4-9,14,16,19,23-24,27,29,31-32H,10-13,15H2,1-3H3,(H,28,33)(H,34,35)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50098658 (CHEMBL418600 | N-Butyl-N-(4-{4-[2-hydroxy-2-(4-hyd...) Show SMILES CCCCN(C(=O)CC(O)=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C27H38N4O7S/c1-3-4-13-31(26(34)17-27(35)36)22-8-6-21(7-9-22)30-14-11-20(12-15-30)28-18-25(33)19-5-10-24(32)23(16-19)29-39(2,37)38/h5-10,16,20,25,28-29,32-33H,3-4,11-15,17-18H2,1-2H3,(H,35,36)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098659 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O Show InChI InChI=1S/C27H38N4O7S/c1-17(2)14-23(27(35)36)29-26(34)18-4-7-21(8-5-18)31-12-10-20(11-13-31)28-16-25(33)19-6-9-24(32)22(15-19)30-39(3,37)38/h4-9,15,17,20,23,25,28,30,32-33H,10-14,16H2,1-3H3,(H,29,34)(H,35,36)/t23-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50002134 (5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...) Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50098662 (2-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...) Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H36N4O7S/c1-42(40,41)33-25-18-22(9-12-27(25)35)28(36)19-31-23-13-15-34(16-14-23)24-10-7-21(8-11-24)29(37)32-26(30(38)39)17-20-5-3-2-4-6-20/h2-12,18,23,26,28,31,33,35-36H,13-17,19H2,1H3,(H,32,37)(H,38,39)/t26-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors				J Med Chem 44: 1456-66 (2001) BindingDB Entry DOI: 10.7270/Q2T72J53
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191378 (CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imi...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3+/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065118 (CHEMBL311931 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c1C Show InChI InChI=1S/C28H24ClN3O2/c1-18-7-5-10-23(19(18)2)27(33)30-21-12-13-24(25(29)15-21)28(34)32-17-22-9-6-14-31(22)16-20-8-3-4-11-26(20)32/h3-15H,16-17H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065123 (CHEMBL420031 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Fc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C26H18Cl2FN3O2/c27-22-12-17(29)7-9-20(22)25(33)30-18-8-10-21(23(28)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191377 ((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191379 ((5R)(6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]-th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065121 (CHEMBL310416 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H22ClN3O2/c1-18-7-2-4-10-22(18)26(32)29-20-12-13-23(24(28)15-20)27(33)31-17-21-9-6-14-30(21)16-19-8-3-5-11-25(19)31/h2-15H,16-17H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50065124 (CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065124 (CHEMBL68085 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H22FN3O2/c1-18-8-11-21(28)15-24(18)26(32)29-22-12-9-19(10-13-22)27(33)31-17-23-6-4-14-30(23)16-20-5-2-3-7-25(20)31/h2-15H,16-17H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065112 (CHEMBL81269 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H21Cl2N3O3/c1-35-25-13-17(8-11-23(25)30-26(33)21-10-9-19(28)14-22(21)29)27(34)32-16-20-6-4-12-31(20)15-18-5-2-3-7-24(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065111 (CHEMBL80029 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-21(8-4-9-24(17)29)26(33)30-19-11-12-22(23(28)14-19)27(34)32-16-20-7-5-13-31(20)15-18-6-2-3-10-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191390 ((5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5'6-pyra...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O5S2/c17-11-9(12-16(11)10(5-22-12)13(18)19)4-7-3-8-6-23(20,21)2-1-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065129 (CHEMBL312036 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C28H24FN3O3/c1-18-9-10-20(29)14-24(18)27(33)30-21-11-12-23(26(15-21)35-2)28(34)32-17-22-7-5-13-31(22)16-19-6-3-4-8-25(19)32/h3-15H,16-17H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191381 ((5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydro...) Show SMILES COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17| Show InChI InChI=1S/C22H20N2O4S2/c1-28-15-4-2-13(3-5-15)10-23-7-6-19-14(11-23)8-16(30-19)9-17-20(25)24-18(22(26)27)12-29-21(17)24/h2-5,8-9,12,21H,6-7,10-11H2,1H3,(H,26,27)/p-1/b17-9-/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50129464 (CHEMBL71355 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H20BrN3O2/c27-23-9-3-2-8-22(23)25(31)28-20-13-11-18(12-14-20)26(32)30-17-21-7-5-15-29(21)16-19-6-1-4-10-24(19)30/h1-15H,16-17H2,(H,28,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191386 ((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065125 (CHEMBL311230 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1 Show InChI InChI=1S/C26H18Cl3N3O2/c27-17-7-9-20(22(28)12-17)25(33)30-18-8-10-21(23(29)13-18)26(34)32-15-19-5-3-11-31(19)14-16-4-1-2-6-24(16)32/h1-13H,14-15H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065128 (CHEMBL81133 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(C)c1 Show InChI InChI=1S/C28H24FN3O2/c1-18-9-10-21(29)15-25(18)27(33)30-22-11-12-24(19(2)14-22)28(34)32-17-23-7-5-13-31(23)16-20-6-3-4-8-26(20)32/h3-15H,16-17H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50065115 (3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from vasopressin V2 receptor of rat kidney medulla.				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191377 ((5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3| Show InChI InChI=1S/C13H12N4O3S/c18-11-9(12-17(11)10(6-21-12)13(19)20)4-7-3-8-5-14-1-2-16(8)15-7/h3-4,6,12,14H,1-2,5H2,(H,19,20)/p-1/b9-4-/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191386 ((5R)(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo-[1,5-...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3| Show InChI InChI=1S/C14H13N3O3S/c18-12-10(13-17(12)11(7-21-13)14(19)20)6-8-5-9-3-1-2-4-16(9)15-8/h5-7,13H,1-4H2,(H,19,20)/p-1/b10-6-/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191383 ((5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]th...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3| Show InChI InChI=1S/C13H11N3O3S2/c17-11-8(12-16(11)9(5-21-12)13(18)19)3-7-4-15-1-2-20-6-10(15)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from vasopressin V2 receptor of rat kidney medulla.				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065110 (CHEMBL418890 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C26H19Cl2N3O2/c27-19-9-12-22(23(28)14-19)25(32)29-20-10-7-17(8-11-20)26(33)31-16-21-5-3-13-30(21)15-18-4-1-2-6-24(18)31/h1-14H,15-16H2,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191385 ((5R,6Z)-6-(6,7-dihydro-4H-pyrazolo[5,1-c]-[1,4]oxa...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3| Show InChI InChI=1S/C13H11N3O4S/c17-11-9(12-16(11)10(6-21-12)13(18)19)4-7-3-8-5-20-2-1-15(8)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b9-4-/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50191389 (6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene...) Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| Show InChI InChI=1S/C21H18N2O4S3/c24-19-14(20-23(19)15(10-28-20)21(25)26)7-13-5-11-8-22(3-1-16(11)29-13)18-6-12-9-27-4-2-17(12)30-18/h5-7,10,20H,1-4,8-9H2,(H,25,26)/p-1/b14-7-/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50191387 ((5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,...) Show SMILES CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| Show InChI InChI=1S/C14H14N4O3S/c1-16-2-3-17-5-8(15-11(17)6-16)4-9-12(19)18-10(14(20)21)7-22-13(9)18/h4-5,7,13H,2-3,6H2,1H3,(H,20,21)/p-1/b9-4-/t13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 49: 4623-37 (2006) Article DOI: 10.1021/jm060021p BindingDB Entry DOI: 10.7270/Q2TX3F1B
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50065116 (CHEMBL81755 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-10-20(29)14-22(17)26(33)30-24-11-9-18(13-23(24)28)27(34)32-16-21-6-4-12-31(21)15-19-5-2-3-7-25(19)32/h2-14H,15-16H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V2 receptor expressed in murine fibroblast cell line (LV2) membranes				J Med Chem 41: 2442-4 (1998) Article DOI: 10.1021/jm980179c BindingDB Entry DOI: 10.7270/Q2CC0ZT5
					More data for this Ligand-Target Pair

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