Compile Data Set for Download or QSAR

Found 202 hits with Last Name = 'fergus' and Initial = 'j'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451823 (CHEMBL2112840) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6| Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125686 (2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...) Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10| Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451820 (CHEMBL3085267) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6| Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451826 (CHEMBL2112797) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451822 (CHEMBL2112839) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11| Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451819 (CHEMBL2079659) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125687 (2-[14-(6-carboxy-3,4,5-trihydroxytetrahydro-2H-2-p...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H](C[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14-,15-,16-,18-,20-,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125689 (6-[4-allyl-10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:18| Show InChI InChI=1S/C22H25NO9/c24-11-3-1-8-7-10-9-2-4-12(19-22(9,5-6-23-10)13(8)17(11)31-19)30-21-16(27)14(25)15(26)18(32-21)20(28)29/h1-4,9-10,12,14-16,18-19,21,23-27H,5-7H2,(H,28,29)/t9-,10+,12-,14-,15-,16-,18+,19-,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451824 (CHEMBL2092968) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125680 (3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,1...) Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(=CC(O)C1O)C(O)=O)ccc5O |c:16,23,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,9,11-12,14-15,18,20,22,25-27H,6-8H2,1H3,(H,28,29)/t11-,12+,14?,15-,18?,20-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50370478 (MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16| Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451825 (CHEMBL2113393) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451826 (CHEMBL2112797) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125688 (3-hydroxy-6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-...) Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C=C1)C(O)=O)ccc5O |c:16,26,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO7/c1-24-9-8-23-12-3-6-16(29-17-7-5-15(26)20(30-17)22(27)28)21(23)31-19-14(25)4-2-11(18(19)23)10-13(12)24/h2-7,12-13,15-17,20-21,25-26H,8-10H2,1H3,(H,27,28)/t12-,13+,15?,16-,17?,20?,21-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451819 (CHEMBL2079659) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451823 (CHEMBL2112840) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6| Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451824 (CHEMBL2092968) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451822 (CHEMBL2112839) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11| Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125686 (2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...) Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10| Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451820 (CHEMBL3085267) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6| Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50370478 (MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16| Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451821 (CHEMBL3085275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(O)=O)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:22,TLB:10:9:17:4.5.6| Show InChI InChI=1S/C24H27NO11/c26-12-3-1-9-7-11-10-2-4-13(34-23-18(31)16(29)17(30)20(36-23)22(32)33)21-24(10,15(9)19(12)35-21)5-6-25(11)8-14(27)28/h1-4,10-11,13,16-18,20-21,23,26,29-31H,5-8H2,(H,27,28)(H,32,33)/t10-,11+,13-,16-,17-,18-,20+,21-,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125689 (6-[4-allyl-10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:18| Show InChI InChI=1S/C22H25NO9/c24-11-3-1-8-7-10-9-2-4-12(19-22(9,5-6-23-10)13(8)17(11)31-19)30-21-16(27)14(25)15(26)18(32-21)20(28)29/h1-4,9-10,12,14-16,18-19,21,23-27H,5-7H2,(H,28,29)/t9-,10+,12-,14-,15-,16-,18+,19-,21+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451825 (CHEMBL2113393) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125680 (3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,1...) Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(=CC(O)C1O)C(O)=O)ccc5O |c:16,23,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,9,11-12,14-15,18,20,22,25-27H,6-8H2,1H3,(H,28,29)/t11-,12+,14?,15-,18?,20-,22?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125692 (3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14?,15-,16+,18?,20-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125692 (3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14?,15-,16+,18?,20-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125684 (3,4,5-trihydroxy-6-[10-methoxy-4-methyl-(5R,13R,14...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3OC |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18-,20+,21-,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125690 (6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...) Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1CCCC(O1)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H27NO6/c1-24-10-9-23-13-6-8-16(28-18-4-2-3-17(29-18)22(26)27)21(23)30-20-15(25)7-5-12(19(20)23)11-14(13)24/h5-8,13-14,16-18,21,25H,2-4,9-11H2,1H3,(H,26,27)/t13-,14+,16-,17?,18?,21-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125690 (6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...) Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1CCCC(O1)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H27NO6/c1-24-10-9-23-13-6-8-16(28-18-4-2-3-17(29-18)22(26)27)21(23)30-20-15(25)7-5-12(19(20)23)11-14(13)24/h5-8,13-14,16-18,21,25H,2-4,9-11H2,1H3,(H,26,27)/t13-,14+,16-,17?,18?,21-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125687 (2-[14-(6-carboxy-3,4,5-trihydroxytetrahydro-2H-2-p...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H](C[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14-,15-,16-,18-,20-,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125688 (3-hydroxy-6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-...) Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C=C1)C(O)=O)ccc5O |c:16,26,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO7/c1-24-9-8-23-12-3-6-16(29-17-7-5-15(26)20(30-17)22(27)28)21(23)31-19-14(25)4-2-11(18(19)23)10-13(12)24/h2-7,12-13,15-17,20-21,25-26H,8-10H2,1H3,(H,27,28)/t12-,13+,15?,16-,17?,20?,21-,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50451821 (CHEMBL3085275) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(O)=O)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:22,TLB:10:9:17:4.5.6| Show InChI InChI=1S/C24H27NO11/c26-12-3-1-9-7-11-10-2-4-13(34-23-18(31)16(29)17(30)20(36-23)22(32)33)21-24(10,15(9)19(12)35-21)5-6-25(11)8-14(27)28/h1-4,10-11,13,16-18,20-21,23,26,29-31H,5-8H2,(H,27,28)(H,32,33)/t10-,11+,13-,16-,17-,18-,20+,21-,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50125684 (3,4,5-trihydroxy-6-[10-methoxy-4-methyl-(5R,13R,14...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3OC |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18-,20+,21-,23+,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ultrafine UFC Ltd Curated by ChEMBL					Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement.				Bioorg Med Chem Lett 13: 1207-14 (2003) BindingDB Entry DOI: 10.7270/Q2251JQC
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50293788 (CHEMBL538867 | N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC2=C(C)C1)NS(C)(=O)=O |r,t:31| Show InChI InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant SMO expressed in mouse C3H10T1/2 cells assessed as inhibition of association of BODIPY-cyclopamine				J Med Chem 52: 4400-18 (2009) Article DOI: 10.1021/jm900305z BindingDB Entry DOI: 10.7270/Q2CC10QM
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557895 (CHEMBL4747523) Show SMILES Cc1cccc(Cn2c3cccc(C)c3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:22.26,wD:19.19,(51.99,-26.08,;51.98,-24.54,;50.63,-23.77,;50.63,-22.23,;51.96,-21.46,;53.29,-22.23,;54.62,-21.46,;54.62,-19.92,;53.28,-19.15,;51.94,-19.92,;50.6,-19.14,;50.61,-17.6,;51.93,-16.83,;51.93,-15.29,;53.27,-17.59,;54.61,-16.81,;54.6,-15.26,;55.96,-17.58,;57.29,-16.81,;58.62,-17.57,;58.62,-19.12,;59.95,-19.89,;61.28,-19.12,;61.28,-17.58,;59.95,-16.8,;62.62,-19.89,;62.62,-21.43,;63.95,-19.12,;65.28,-19.89,;65.28,-21.43,;66.61,-22.2,;67.95,-21.43,;67.94,-19.88,;66.61,-19.12,;55.96,-19.14,;57.3,-19.91,;53.3,-23.76,;54.65,-24.53,;55.98,-25.29,)| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557896 (CHEMBL4786379) Show SMILES Cc1cccc2n(Cc3cccc(Cl)c3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:24.28,wD:21.21,(2.22,-29.02,;2.22,-30.56,;.89,-31.33,;.89,-32.87,;2.22,-33.64,;3.56,-32.88,;4.9,-33.64,;4.91,-35.18,;3.58,-35.96,;2.24,-35.19,;.91,-35.96,;.92,-37.5,;2.26,-38.27,;2.27,-39.81,;3.59,-37.49,;4.93,-38.25,;6.27,-39.01,;6.25,-32.87,;7.58,-33.63,;6.24,-31.31,;7.57,-30.54,;8.91,-31.3,;8.91,-32.85,;10.23,-33.61,;11.57,-32.84,;11.57,-31.3,;10.23,-30.53,;12.9,-33.62,;12.9,-35.16,;14.24,-32.85,;15.57,-33.62,;15.56,-35.16,;16.9,-35.93,;18.23,-35.16,;18.23,-33.61,;16.9,-32.85,;4.89,-30.53,;4.89,-28.99,;3.56,-31.32,)| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557880 (CHEMBL4794878) Show SMILES FC(F)(F)c1cccc(Cn2c3ccccc3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:24.28,wD:21.21,(48.5,-12.23,;49.91,-11.53,;51.49,-11.66,;49.75,-12.97,;49.9,-9.99,;48.55,-9.22,;48.55,-7.68,;49.88,-6.91,;51.21,-7.68,;52.54,-6.9,;52.54,-5.36,;51.2,-4.6,;49.86,-5.36,;48.52,-4.59,;48.53,-3.05,;49.86,-2.28,;51.19,-3.04,;52.53,-2.25,;52.52,-.71,;53.88,-3.03,;55.21,-2.26,;56.55,-3.02,;56.54,-4.57,;57.87,-5.33,;59.2,-4.57,;59.2,-3.02,;57.87,-2.25,;60.54,-5.34,;60.54,-6.88,;61.87,-4.57,;63.21,-5.34,;63.2,-6.88,;64.53,-7.65,;65.87,-6.88,;65.86,-5.33,;64.53,-4.57,;53.88,-4.59,;55.22,-5.35,;51.22,-9.21,;52.57,-9.97,;53.91,-10.73,)| Show InChI	PDB UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557892 (CHEMBL4757303) Show SMILES Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccnnc3)c(=O)c12 |r,wU:27.31,wD:24.24,(49.57,-1.24,;49.58,-2.78,;48.25,-3.55,;48.25,-5.1,;49.58,-5.87,;50.92,-5.1,;52.26,-5.87,;52.27,-7.41,;50.93,-8.18,;49.6,-7.41,;48.27,-8.19,;48.27,-9.73,;49.62,-10.49,;50.94,-9.72,;52.29,-10.48,;53.63,-11.24,;49.63,-12.03,;48.22,-12.73,;51.22,-12.17,;49.47,-13.48,;53.61,-5.09,;54.94,-5.86,;53.6,-3.54,;54.93,-2.76,;56.27,-3.53,;56.26,-5.07,;57.59,-5.84,;58.93,-5.07,;58.93,-3.53,;57.59,-2.76,;60.26,-5.84,;60.26,-7.38,;61.59,-5.07,;62.93,-5.84,;64.25,-5.07,;65.59,-5.84,;65.59,-7.38,;64.25,-8.15,;62.92,-7.38,;52.25,-2.76,;52.24,-1.21,;50.91,-3.55,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557894 (CHEMBL4759993) Show SMILES Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3cnn(C)c3)c(=O)c12 |r,wU:27.31,wD:24.24,(27.54,-13.77,;27.54,-15.31,;26.21,-16.08,;26.21,-17.63,;27.54,-18.4,;28.88,-17.63,;30.23,-18.4,;30.23,-19.94,;28.9,-20.71,;27.56,-19.94,;26.23,-20.71,;26.24,-22.25,;27.58,-23.02,;28.91,-22.24,;30.25,-23.01,;31.59,-23.77,;27.59,-24.56,;26.18,-25.26,;29.18,-24.69,;27.43,-26.01,;31.57,-17.62,;32.91,-18.39,;31.56,-16.06,;32.89,-15.29,;34.23,-16.06,;34.23,-17.6,;35.55,-18.37,;36.89,-17.6,;36.89,-16.06,;35.55,-15.28,;38.22,-18.37,;38.22,-19.91,;39.56,-17.6,;40.89,-18.37,;42.3,-17.74,;43.33,-18.88,;42.56,-20.22,;43.18,-21.62,;41.05,-19.89,;30.21,-15.29,;30.21,-13.74,;28.88,-16.08,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557885 (CHEMBL4788947) Show SMILES Cc1c(F)ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:28.32,wD:25.25,(27.49,-28.12,;27.49,-29.66,;26.16,-30.43,;24.83,-29.65,;26.16,-31.97,;27.49,-32.74,;28.83,-31.97,;30.17,-32.74,;30.18,-34.28,;28.85,-35.06,;27.51,-34.28,;26.18,-35.06,;26.19,-36.6,;27.53,-37.36,;28.86,-36.59,;30.2,-37.35,;31.54,-38.11,;27.54,-38.9,;26.13,-39.6,;29.13,-39.04,;27.38,-40.35,;31.52,-31.96,;32.85,-32.73,;31.51,-30.41,;32.84,-29.63,;34.18,-30.4,;34.18,-31.94,;35.5,-32.71,;36.84,-31.94,;36.84,-30.4,;35.5,-29.63,;38.17,-32.71,;38.17,-34.25,;39.51,-31.94,;40.84,-32.72,;40.83,-34.25,;42.17,-35.03,;43.5,-34.26,;43.5,-32.71,;42.16,-31.94,;30.16,-29.63,;30.16,-28.09,;28.83,-30.42,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557884 (CHEMBL4759701) Show SMILES Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:27.31,wD:24.24,(4.19,-28.22,;4.2,-29.76,;2.87,-30.54,;2.87,-32.08,;4.2,-32.85,;5.54,-32.08,;6.88,-32.85,;6.88,-34.39,;5.55,-35.16,;4.22,-34.39,;2.89,-35.17,;2.89,-36.71,;4.24,-37.47,;5.56,-36.7,;6.91,-37.46,;8.25,-38.22,;4.25,-39.01,;2.84,-39.71,;5.83,-39.15,;4.09,-40.46,;8.22,-32.07,;9.56,-32.84,;8.22,-30.52,;9.55,-29.74,;10.89,-30.51,;10.88,-32.05,;12.21,-32.82,;13.55,-32.05,;13.54,-30.51,;12.21,-29.74,;14.88,-32.82,;14.88,-34.36,;16.21,-32.05,;17.55,-32.82,;17.54,-34.36,;18.87,-35.13,;20.21,-34.37,;20.2,-32.82,;18.87,-32.05,;6.87,-29.74,;6.86,-28.19,;5.53,-30.53,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557882 (CHEMBL4754447) Show SMILES FC(F)(F)c1cccc(Cn2c3cccc(Cl)c3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:25.29,wD:22.22,(24.7,-26.2,;26.11,-25.5,;27.7,-25.64,;25.95,-26.95,;26.1,-23.96,;24.75,-23.2,;24.75,-21.66,;26.08,-20.88,;27.41,-21.65,;28.75,-20.88,;28.74,-19.34,;27.4,-18.57,;26.06,-19.34,;24.73,-18.57,;24.73,-17.02,;26.06,-16.25,;26.06,-14.72,;27.39,-17.02,;28.73,-16.23,;28.72,-14.68,;30.08,-17.01,;31.41,-16.23,;32.75,-17,;32.74,-18.54,;34.07,-19.31,;35.41,-18.54,;35.41,-17,;34.07,-16.23,;36.74,-19.31,;36.74,-20.85,;38.07,-18.54,;39.41,-19.31,;39.4,-20.85,;40.73,-21.62,;42.07,-20.85,;42.07,-19.31,;40.73,-18.54,;30.09,-18.56,;31.42,-19.33,;27.42,-23.19,;28.77,-23.95,;30.11,-24.71,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557888 (CHEMBL4758600) Show SMILES Cc1cccc2n(Cc3ccccc3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:23.27,wD:20.20,(28.1,-43.61,;28.1,-45.15,;26.78,-45.92,;26.77,-47.46,;28.11,-48.23,;29.45,-47.47,;30.79,-48.23,;30.79,-49.77,;29.46,-50.55,;28.13,-49.78,;26.8,-50.55,;26.8,-52.09,;28.15,-52.86,;29.47,-52.08,;30.82,-52.84,;32.15,-53.61,;32.13,-47.46,;33.47,-48.22,;32.13,-45.9,;33.46,-45.13,;34.79,-45.89,;34.79,-47.44,;36.12,-48.2,;37.45,-47.44,;37.45,-45.89,;36.12,-45.12,;38.79,-48.21,;38.79,-49.75,;40.12,-47.44,;41.45,-48.21,;41.45,-49.75,;42.78,-50.52,;44.12,-49.75,;44.11,-48.2,;42.78,-47.44,;30.78,-45.12,;30.77,-43.58,;29.44,-45.91,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557881 (CHEMBL4799048) Show SMILES Fc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:27.31,wD:24.24,(3.85,-14.07,;3.85,-15.61,;2.52,-16.38,;2.52,-17.92,;3.85,-18.69,;5.19,-17.93,;6.53,-18.7,;6.53,-20.24,;5.2,-21.01,;3.87,-20.24,;2.54,-21.01,;2.54,-22.55,;3.89,-23.32,;5.21,-22.54,;6.56,-23.3,;7.9,-24.07,;3.9,-24.86,;2.49,-25.56,;5.48,-24.99,;3.74,-26.3,;7.87,-17.92,;9.21,-18.69,;7.87,-16.36,;9.2,-15.59,;10.54,-16.35,;10.53,-17.9,;11.86,-18.66,;13.2,-17.9,;13.19,-16.35,;11.86,-15.58,;14.53,-18.67,;14.53,-20.21,;15.86,-17.9,;17.2,-18.67,;17.19,-20.21,;18.52,-20.98,;19.86,-20.21,;19.85,-18.66,;18.52,-17.9,;6.52,-15.59,;6.51,-14.04,;5.18,-16.37,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557897 (CHEMBL4761298) Show SMILES Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:27.31,wD:24.24,(38.6,-28.72,;38.6,-30.26,;37.27,-31.03,;37.27,-32.58,;38.61,-33.35,;39.94,-32.58,;41.29,-33.35,;41.29,-34.89,;39.96,-35.66,;38.63,-34.89,;37.3,-35.66,;37.3,-37.2,;38.64,-37.97,;39.97,-37.19,;41.31,-37.96,;42.65,-38.72,;38.65,-39.51,;37.25,-40.21,;40.24,-39.64,;38.49,-40.96,;42.63,-32.57,;43.97,-33.34,;42.62,-31.01,;43.96,-30.24,;45.29,-31.01,;45.29,-32.55,;46.62,-33.32,;47.95,-32.55,;47.95,-31.01,;46.61,-30.23,;49.28,-33.32,;50.62,-32.55,;49.28,-34.86,;41.27,-30.24,;41.27,-28.69,;39.94,-31.02,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557879 (CHEMBL4791639) Show SMILES O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)CC1 |r,wU:9.9,wD:12.13,(37.04,-7.34,;37.04,-5.8,;38.38,-5.03,;39.71,-5.81,;39.71,-7.34,;41.04,-8.11,;42.37,-7.35,;42.37,-5.8,;41.04,-5.03,;35.71,-5.03,;34.38,-5.8,;33.05,-5.03,;33.05,-3.49,;31.72,-2.72,;30.38,-3.5,;30.39,-5.05,;31.73,-5.82,;29.05,-5.83,;29.05,-7.37,;27.72,-8.14,;26.39,-7.37,;25.05,-8.15,;25.06,-9.69,;26.4,-10.45,;27.73,-9.68,;29.07,-10.44,;30.41,-11.2,;27.7,-5.06,;26.37,-5.83,;25.03,-5.06,;25.03,-3.52,;26.36,-2.74,;27.7,-3.51,;29.03,-2.72,;29.03,-1.17,;34.37,-2.72,;35.71,-3.49,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50557883 (CHEMBL4798387) Show SMILES COc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:28.32,wD:25.25,(50.15,-14.41,;51.48,-15.19,;51.48,-16.72,;50.15,-17.49,;50.15,-19.04,;51.49,-19.81,;52.83,-19.04,;54.17,-19.81,;54.17,-21.35,;52.84,-22.12,;51.51,-21.35,;50.18,-22.12,;50.18,-23.66,;51.52,-24.43,;52.85,-23.65,;54.19,-24.42,;55.53,-25.18,;51.54,-25.97,;50.13,-26.67,;53.12,-26.1,;51.37,-27.42,;55.51,-19.03,;56.85,-19.8,;55.51,-17.47,;56.84,-16.7,;58.17,-17.47,;58.17,-19.01,;59.5,-19.78,;60.83,-19.01,;60.83,-17.47,;59.49,-16.69,;62.17,-19.78,;62.17,-21.32,;63.5,-19.01,;64.83,-19.78,;64.83,-21.32,;66.16,-22.09,;67.49,-21.32,;67.49,-19.77,;66.16,-19.01,;54.15,-16.7,;54.15,-15.15,;52.82,-17.48,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TNKS1 incubated for 1 to 2 hrs by fluorescence polarization assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00160 BindingDB Entry DOI: 10.7270/Q2W099KF
					More data for this Ligand-Target Pair

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