Compile Data Set for Download or QSAR

Found 936 hits with Last Name = 'mazaki' and Initial = 'y'   

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
Tyrosinase (Mus musculus (Mouse))	BDBM50414514 (PROTOCATECHUAMIDE) Show SMILES NC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3,9-10H,(H2,8,11)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM50296245 (3,4-Dihydroxy-N-[2-(5-hydroxyindol-3-yl)ethyl]benz...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1 Show InChI InChI=1S/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Tyrosinase (Mus musculus (Mouse))	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Advanced Industrial Science and Technology Curated by ChEMBL					Assay Description Apparent noncompetitive inhibition of catecholase activity of tyrosinase in mouse B16 cells by Lineweaver-Burke plot analysis				Bioorg Med Chem Lett 19: 4178-82 (2009) Article DOI: 10.1016/j.bmcl.2009.05.115 BindingDB Entry DOI: 10.7270/Q2BR8S70
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511570 (CHEMBL4442053) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CS(C)(=O)=O)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H25F2N5O4S/c1-27-7-3-4-14-18(27)25-21(26-19(14)30)28-8-5-22(6-9-28)17-15(24)10-13(23)11-16(17)29(20(22)31)12-34(2,32)33/h10-11H,3-9,12H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511541 (CHEMBL4572668) Show SMILES COCCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511546 (CHEMBL4553990) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OC1CCN(C)CC1)cc2F Show InChI InChI=1S/C27H35FN6O3/c1-31-11-6-17(7-12-31)37-18-15-20(28)22-21(16-18)33(3)25(36)27(22)8-13-34(14-9-27)26-29-23-19(24(35)30-26)5-4-10-32(23)2/h15-17H,4-14H2,1-3H3,(H,29,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511561 (CHEMBL4446044) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCOCC1 Show InChI InChI=1S/C25H31FN6O3/c1-29-7-3-4-17-21(29)27-24(28-22(17)33)32-8-5-25(6-9-32)20-18(26)14-16(31-10-12-35-13-11-31)15-19(20)30(2)23(25)34/h14-15H,3-13H2,1-2H3,(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511565 (CHEMBL4539435) Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r| Show InChI InChI=1S/C27H36FN7O2/c1-16-14-35(15-17(2)29-16)18-12-20(28)22-21(13-18)33(4)25(37)27(22)7-10-34(11-8-27)26-30-23-19(24(36)31-26)6-5-9-32(23)3/h12-13,16-17,29H,5-11,14-15H2,1-4H3,(H,30,31,36)/t16-,17+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260242 (US9522914, A-44) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1 Show InChI InChI=1S/C27H33ClN4O2/c1-19(2)29-26(33)18-32-17-25(30-27(32)23-5-4-6-24(28)16-23)22-9-7-21(8-10-22)15-20(3)31-11-13-34-14-12-31/h4-10,16-17,19-20H,11-15,18H2,1-3H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260242 (US9522914, A-44) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1 Show InChI InChI=1S/C27H33ClN4O2/c1-19(2)29-26(33)18-32-17-25(30-27(32)23-5-4-6-24(28)16-23)22-9-7-21(8-10-22)15-20(3)31-11-13-34-14-12-31/h4-10,16-17,19-20H,11-15,18H2,1-3H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511536 (CHEMBL4585076) Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511537 (CHEMBL4470270) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(F)(F)F)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F5N5O2/c1-30-6-2-3-13-17(30)28-20(29-18(13)33)31-7-4-21(5-8-31)16-14(24)9-12(23)10-15(16)32(19(21)34)11-22(25,26)27/h9-10H,2-8,11H2,1H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511553 (CHEMBL4532667) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F2N6O2/c1-28-7-2-3-14-18(28)26-21(27-19(14)31)29-8-4-22(5-9-29)17-15(24)11-13(23)12-16(17)30(10-6-25)20(22)32/h11-12H,2-5,7-10H2,1H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511568 (CHEMBL4470218) Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511557 (CHEMBL4544771) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCOCC1)cc2F Show InChI InChI=1S/C27H35FN6O4/c1-31-7-3-4-19-23(31)29-26(30-24(19)35)34-8-5-27(6-9-34)22-20(28)16-18(17-21(22)32(2)25(27)36)38-15-12-33-10-13-37-14-11-33/h16-17H,3-15H2,1-2H3,(H,29,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511538 (CHEMBL4466701) Show SMILES COCCN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C23H27F2N5O3/c1-28-7-3-4-15-19(28)26-22(27-20(15)31)29-8-5-23(6-9-29)18-16(25)12-14(24)13-17(18)30(21(23)32)10-11-33-2/h12-13H,3-11H2,1-2H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511548 (CHEMBL4449082) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r| Show InChI InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511545 (CHEMBL4581567) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c21 Show InChI InChI=1S/C24H27F2N5O3/c1-29-6-2-3-16-20(29)27-23(28-21(16)32)30-7-4-24(5-8-30)19-17(26)9-15(25)10-18(19)31(22(24)33)11-14-12-34-13-14/h9-10,14H,2-8,11-13H2,1H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511539 (CHEMBL4457037) Show SMILES CN(C)CCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C25H33FN6O3/c1-29(2)12-13-35-16-14-18(26)20-19(15-16)31(4)23(34)25(20)7-10-32(11-8-25)24-27-21-17(22(33)28-24)6-5-9-30(21)3/h14-15H,5-13H2,1-4H3,(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511556 (CHEMBL4525942) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCCC1)cc2F Show InChI InChI=1S/C27H35FN6O3/c1-31-9-5-6-19-23(31)29-26(30-24(19)35)34-12-7-27(8-13-34)22-20(28)16-18(17-21(22)32(2)25(27)36)37-15-14-33-10-3-4-11-33/h16-17H,3-15H2,1-2H3,(H,29,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260267 (US9522914, B-20) Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CC(C)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C29H37N5O3/c1-19(2)30-27(35)16-33-29(23-6-5-7-26(15-23)36-4)31-28(32-33)22-10-8-21(9-11-22)14-20(3)34-24-12-13-25(34)18-37-17-24/h5-11,15,19-20,24-25H,12-14,16-18H2,1-4H3,(H,30,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260267 (US9522914, B-20) Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CC(C)N2C3CCC2COC3)cc1 Show InChI InChI=1S/C29H37N5O3/c1-19(2)30-27(35)16-33-29(23-6-5-7-26(15-23)36-4)31-28(32-33)22-10-8-21(9-11-22)14-20(3)34-24-12-13-25(34)18-37-17-24/h5-11,15,19-20,24-25H,12-14,16-18H2,1-4H3,(H,30,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260241 (US9522914, A-43) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2CCOCC2)cc1F Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)20-4-3-5-21(27)15-20)22-7-6-19(14-23(22)28)8-9-31-10-12-34-13-11-31/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260241 (US9522914, A-43) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2CCOCC2)cc1F Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)20-4-3-5-21(27)15-20)22-7-6-19(14-23(22)28)8-9-31-10-12-34-13-11-31/h3-7,14-16,18H,8-13,17H2,1-2H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260347 (US9522914, D-36) Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H33ClFN5O3/c1-17(2)31-27(36)14-26-32-35(28(37)34(26)21-10-11-25(30)24(29)13-21)20-6-4-19(5-7-20)12-18(3)33-22-8-9-23(33)16-38-15-22/h4-7,10-11,13,17-18,22-23H,8-9,12,14-16H2,1-3H3,(H,31,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260347 (US9522914, D-36) Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H33ClFN5O3/c1-17(2)31-27(36)14-26-32-35(28(37)34(26)21-10-11-25(30)24(29)13-21)20-6-4-19(5-7-20)12-18(3)33-22-8-9-23(33)16-38-15-22/h4-7,10-11,13,17-18,22-23H,8-9,12,14-16H2,1-3H3,(H,31,36)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511542 (CHEMBL4467730) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCCCC1 Show InChI InChI=1S/C26H33FN6O2/c1-30-10-6-7-18-22(30)28-25(29-23(18)34)33-13-8-26(9-14-33)21-19(27)15-17(32-11-4-3-5-12-32)16-20(21)31(2)24(26)35/h15-16H,3-14H2,1-2H3,(H,28,29,34)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511555 (CHEMBL4464007) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(O)CO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C23H27F2N5O4/c1-28-6-2-3-15-19(28)26-22(27-20(15)33)29-7-4-23(5-8-29)18-16(25)9-13(24)10-17(18)30(21(23)34)11-14(32)12-31/h9-10,14,31-32H,2-8,11-12H2,1H3,(H,26,27,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511569 (CHEMBL4463639) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCO)cc2F Show InChI InChI=1S/C23H28FN5O4/c1-27-7-3-4-15-19(27)25-22(26-20(15)31)29-8-5-23(6-9-29)18-16(24)12-14(33-11-10-30)13-17(18)28(2)21(23)32/h12-13,30H,3-11H2,1-2H3,(H,25,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260206 (US9522914, A-08) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260206 (US9522914, A-08) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H33ClN4O2/c1-19(2)30-27(34)16-32-15-26(31-28(32)22-4-3-5-23(29)14-22)21-8-6-20(7-9-21)12-13-33-24-10-11-25(33)18-35-17-24/h3-9,14-15,19,24-25H,10-13,16-18H2,1-2H3,(H,30,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.820	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511560 (CHEMBL4582280) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCN(C)CC1 Show InChI InChI=1S/C26H34FN7O2/c1-30-11-13-33(14-12-30)17-15-19(27)21-20(16-17)32(3)24(36)26(21)6-9-34(10-7-26)25-28-22-18(23(35)29-25)5-4-8-31(22)2/h15-16H,4-14H2,1-3H3,(H,28,29,35)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260237 (US9522914, A-39) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1ccc(F)c(Cl)c1)-c1ccc(CCN2CCOCC2)cc1 Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260237 (US9522914, A-39) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1ccc(F)c(Cl)c1)-c1ccc(CCN2CCOCC2)cc1 Show InChI InChI=1S/C26H30ClFN4O2/c1-18(2)29-25(33)17-32-16-24(30-26(32)21-7-8-23(28)22(27)15-21)20-5-3-19(4-6-20)9-10-31-11-13-34-14-12-31/h3-8,15-16,18H,9-14,17H2,1-2H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM414420 ((R)-7-[4-(2-ethoxycarbonyl-2-hydroxyethyl)oxy-2-me...) Show SMILES CCOC(=O)[C@@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C |r| Show InChI InChI=1S/C31H35FN2O7/c1-7-39-29(36)25(35)17-40-20-10-11-22(27(15-20)38-6)21-12-13-24-28(34(5)30(37)31(3,4)33-24)23(21)16-41-26-14-19(32)9-8-18(26)2/h8-15,25,33,35H,7,16-17H2,1-6H3/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description 1) The subcultured HCE-T was recovered and the cells were seeded at 2.0×104 cells/0.1 mL/well in a 96-well flat bottom culture plate.2) After culturi...				US Patent US10435379 (2019) BindingDB Entry DOI: 10.7270/Q2X350TP
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM331838 ((R)-7-[4-(2-ethoxycarbonyl-2-hydroxyethyl)oxy-2-me...) Show SMILES CCOC(=O)[C@H](O)COc1ccc(c(OC)c1)-c1ccc2NC(C)(C)C(=O)N(C)c2c1COc1cc(F)ccc1C Show InChI InChI=1S/C31H35FN2O7/c1-7-39-29(36)25(35)17-40-20-10-11-22(27(15-20)38-6)21-12-13-24-28(34(5)30(37)31(3,4)33-24)23(21)16-41-26-14-19(32)9-8-18(26)2/h8-15,25,33,35H,7,16-17H2,1-6H3/t25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
SANTEN PHARMACEUTICAL CO., LTD. US Patent					Assay Description o evaluate the action of the present compounds as a GR agonist, IL-6 production inhibitory action in human corneal epithelial cell line after LPS sti...				US Patent US10189796 (2019) BindingDB Entry DOI: 10.7270/Q21G0PBH
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511567 (CHEMBL4441063) Show SMILES Cn1ccc2c1nc([nH]c2=O)N1CCC2(CN(CCO)c3cc(F)cc(F)c23)CC1 Show InChI InChI=1S/C21H23F2N5O2/c1-26-5-2-14-18(26)24-20(25-19(14)30)27-6-3-21(4-7-27)12-28(8-9-29)16-11-13(22)10-15(23)17(16)21/h2,5,10-11,29H,3-4,6-9,12H2,1H3,(H,24,25,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511544 (CHEMBL4445363) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H25F2N5O3/c1-27-6-2-3-14-18(27)25-21(26-19(14)31)28-7-4-22(5-8-28)17-15(24)11-13(23)12-16(17)29(9-10-30)20(22)32/h11-12,30H,2-10H2,1H3,(H,25,26,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511558 (CHEMBL4441668) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCN(C)CC1)cc2F Show InChI InChI=1S/C28H38FN7O3/c1-32-11-13-35(14-12-32)15-16-39-19-17-21(29)23-22(18-19)34(3)26(38)28(23)6-9-36(10-7-28)27-30-24-20(25(37)31-27)5-4-8-33(24)2/h17-18H,4-16H2,1-3H3,(H,30,31,37)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511541 (CHEMBL4572668) Show SMILES COCCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260264 (US9522914, B-17) Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H35N5O3/c1-19(2)29-26(34)16-33-28(22-5-4-6-25(15-22)35-3)30-27(31-33)21-9-7-20(8-10-21)13-14-32-23-11-12-24(32)18-36-17-23/h4-10,15,19,23-24H,11-14,16-18H2,1-3H3,(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260264 (US9522914, B-17) Show SMILES COc1cccc(c1)-c1nc(nn1CC(=O)NC(C)C)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C28H35N5O3/c1-19(2)29-26(34)16-33-28(22-5-4-6-25(15-22)35-3)30-27(31-33)21-9-7-20(8-10-21)13-14-32-23-11-12-24(32)18-36-17-23/h4-10,15,19,23-24H,11-14,16-18H2,1-3H3,(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260248 (US9522914, B-01) Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H32ClN5O2/c1-18(2)29-25(34)15-33-27(21-4-3-5-22(28)14-21)30-26(31-33)20-8-6-19(7-9-20)12-13-32-23-10-11-24(32)17-35-16-23/h3-9,14,18,23-24H,10-13,15-17H2,1-2H3,(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260248 (US9522914, B-01) Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H32ClN5O2/c1-18(2)29-25(34)15-33-27(21-4-3-5-22(28)14-21)30-26(31-33)20-8-6-19(7-9-20)12-13-32-23-10-11-24(32)17-35-16-23/h3-9,14,18,23-24H,10-13,15-17H2,1-2H3,(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260329 (US9522914, D-18) Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1cccc(Cl)c1 Show InChI InChI=1S/C28H34ClN5O3/c1-18(2)30-27(35)15-26-31-34(28(36)33(26)23-6-4-5-21(29)14-23)22-9-7-20(8-10-22)13-19(3)32-24-11-12-25(32)17-37-16-24/h4-10,14,18-19,24-25H,11-13,15-17H2,1-3H3,(H,30,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511550 (CHEMBL4460022) Show SMILES Cn1ccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C21H21F2N5O3/c1-26-5-2-13-17(26)24-20(25-18(13)30)27-6-3-21(4-7-27)16-14(23)10-12(22)11-15(16)28(8-9-29)19(21)31/h2,5,10-11,29H,3-4,6-9H2,1H3,(H,24,25,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260329 (US9522914, D-18) Show SMILES CC(C)NC(=O)Cc1nn(-c2ccc(CC(C)N3C4CCC3COC4)cc2)c(=O)n1-c1cccc(Cl)c1 Show InChI InChI=1S/C28H34ClN5O3/c1-18(2)30-27(35)15-26-31-34(28(36)33(26)23-6-4-5-21(29)14-23)22-9-7-20(8-10-22)13-19(3)32-24-11-12-25(32)17-37-16-24/h4-10,14,18-19,24-25H,11-13,15-17H2,1-3H3,(H,30,35)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511553 (CHEMBL4532667) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F2N6O2/c1-28-7-2-3-14-18(28)26-21(27-19(14)31)29-8-4-22(5-9-29)17-15(24)11-13(23)12-16(17)30(10-6-25)20(22)32/h11-12H,2-5,7-10H2,1H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511561 (CHEMBL4446044) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCOCC1 Show InChI InChI=1S/C25H31FN6O3/c1-29-7-3-4-17-21(29)27-24(28-22(17)33)32-8-5-25(6-9-32)20-18(26)14-16(31-10-12-35-13-11-31)15-19(20)30(2)23(25)34/h14-15H,3-13H2,1-2H3,(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511562 (CHEMBL4554146) Show SMILES OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C22H24F2N4O3/c23-13-11-15(24)18-17(12-13)28(9-10-29)20(31)22(18)5-7-27(8-6-22)21-25-16-4-2-1-3-14(16)19(30)26-21/h11-12,29H,1-10H2,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair

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