Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50028017   

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
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50265491 (1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56| Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265491 (1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56| Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50006878 ((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265493 (CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45| Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265492 (1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60| Show InChI InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50006878 ((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265494 ((R)-N-methyl-2-(1-(3-(3-(1-methyl-2-oxo-5-phenyl-2...) Show SMILES CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:38| Show InChI InChI=1S/C40H50N8O9/c1-41-33(49)24-55-25-34(50)42-19-10-3-4-11-20-43-35(51)26-56-27-36(52)44-21-22-57-30-16-12-15-29(23-30)45-40(54)47-38-39(53)48(2)32-18-9-8-17-31(32)37(46-38)28-13-6-5-7-14-28/h5-9,12-18,23,38H,3-4,10-11,19-22,24-27H2,1-2H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H2,45,47,54)/t38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50265493 (CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45| Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50265492 (1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60| Show InChI InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50265533 (2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...) Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r| Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265491 (1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56| Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265533 (2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...) Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r| Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265494 ((R)-N-methyl-2-(1-(3-(3-(1-methyl-2-oxo-5-phenyl-2...) Show SMILES CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:38| Show InChI InChI=1S/C40H50N8O9/c1-41-33(49)24-55-25-34(50)42-19-10-3-4-11-20-43-35(51)26-56-27-36(52)44-21-22-57-30-16-12-15-29(23-30)45-40(54)47-38-39(53)48(2)32-18-9-8-17-31(32)37(46-38)28-13-6-5-7-14-28/h5-9,12-18,23,38H,3-4,10-11,19-22,24-27H2,1-2H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H2,45,47,54)/t38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265491 (1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56| Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265492 (1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60| Show InChI InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265493 (CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45| Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265493 (CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45| Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265492 (1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60| Show InChI InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265490 (CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54| Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	356	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265491 (1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...) Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56| Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	119	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.66	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50265533 (2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...) Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r| Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	572	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Activity at CCK2R-MOPR (unknown origin) coexpressed in CHO cells cotransfected with delta6-Galphaqi4-myr assessed as intracellular calcium release by...				J Med Chem 52: 247-58 (2009) Article DOI: 10.1021/jm800174p BindingDB Entry DOI: 10.7270/Q22V2FZJ
					More data for this Ligand-Target Pair