Compile Data Set for Download or QSAR

Found 365 hits with Last Name = 'shankley' and Initial = 'np'   

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
Histamine H3 receptor (GUINEA PIG)	BDBM50215536 ((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...) Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.0851	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	0.145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215536 ((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...) Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50213845 (CHEMBL14557) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3cc[nH]c3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:40:35:42:39.41.38,40:39:42:35.34.36,THB:38:37:34:39.41.40,38:39:34:37.42.36| Show InChI InChI=1S/C38H38N4O7/c43-33(40-20-38-17-22-8-23(18-38)10-24(9-22)19-38)30-16-31-25(6-7-39-31)15-29(30)34(44)42-32(11-21-4-2-1-3-5-21)35(45)41-28-13-26(36(46)47)12-27(14-28)37(48)49/h1-7,12-16,22-24,32,39H,8-11,17-20H2,(H,40,43)(H,41,45)(H,42,44)(H,46,47)(H,48,49)/t22?,23?,24?,32-,38?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215541 (CHEMBL299589) Show SMILES C[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H17N3O2S/c1-12(8-15-10-17-11-18-15)19-22(20,21)16-7-6-13-4-2-3-5-14(13)9-16/h2-7,9-12,19H,8H2,1H3,(H,17,18)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50470629 (CHEMBL342616) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wD:9.9,TLB:43:44:48:42.41.47,47:46:49:42.41.43,47:42:49:46.48.45,24:23:20.21:35.30,THB:18:20:35.30:28.23,43:42:48:44.49.45,34:35:20.21:28.23,27:28:20.21:35.30,31:30:20.21:28.23,(16.62,-7.02,;16.63,-5.48,;15.29,-4.71,;17.97,-4.72,;17.97,-3.18,;19.29,-2.43,;19.31,-.88,;20.64,-.12,;21.97,-.9,;20.64,1.42,;19.31,2.19,;17.98,2.97,;16.63,2.21,;15.31,2.97,;15.33,4.52,;16.65,5.3,;17.99,4.5,;21.97,2.19,;21.97,3.73,;20.64,4.51,;23.44,4.41,;24.65,3.71,;25.05,5.21,;27.84,6.65,;29.36,6.44,;30.3,7.66,;29.71,9.1,;28.18,9.3,;27.25,8.09,;23.52,5.95,;22.2,7.73,;21.67,9.18,;22.67,10.37,;24.18,10.1,;24.71,8.66,;23.73,7.47,;24.66,2.18,;25.98,2.96,;25.99,1.41,;27.32,2.18,;28.66,1.41,;30.24,1.7,;31.62,.9,;31.41,-.6,;29.78,-.84,;30.79,.2,;31.02,1.59,;32.73,1.99,;29.75,2.35,;28.46,-.09,;20.63,-3.19,;20.63,-4.73,;19.3,-5.51,;21.96,-5.51,;21.97,-7.04,;23.29,-4.74,)| Show InChI InChI=1S/C46H45N3O7/c50-41(48-31-19-29(44(53)54)18-30(20-31)45(55)56)36(17-25-8-2-1-3-9-25)49-43(52)40-38-34-12-6-4-10-32(34)37(33-11-5-7-13-35(33)38)39(40)42(51)47-24-46-21-26-14-27(22-46)16-28(15-26)23-46/h1-13,18-20,26-28,36-40H,14-17,21-24H2,(H,47,51)(H,48,50)(H,49,52)(H,53,54)(H,55,56)/t26?,27?,28?,36-,37?,38?,39?,40?,46?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215541 (CHEMBL299589) Show SMILES C[C@H](Cc1c[nH]cn1)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H17N3O2S/c1-12(8-15-10-17-11-18-15)19-22(20,21)16-7-6-13-4-2-3-5-14(13)9-16/h2-7,9-12,19H,8H2,1H3,(H,17,18)/t12-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50421390 (CHEMBL24313) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:36:37:41:35.34.40,THB:36:35:41:37.42.38,38:37:34:39.41.40,38:39:34:37.42.36| Show InChI InChI=1S/C37H37N5O7/c43-32(38-18-37-15-21-6-22(16-37)8-23(7-21)17-37)27-13-29-30(40-19-39-29)14-28(27)33(44)42-31(9-20-4-2-1-3-5-20)34(45)41-26-11-24(35(46)47)10-25(12-26)36(48)49/h1-5,10-14,19,21-23,31H,6-9,15-18H2,(H,38,43)(H,39,40)(H,41,45)(H,42,44)(H,46,47)(H,48,49)/t21?,22?,23?,31-,37?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415081 (CHEMBL571650) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r| Show InChI InChI=1S/C24H17Br2FN4O5S/c25-14-5-6-15(23(32)30-20(24(33)34)11-13-4-7-17(27)16(26)10-13)19(12-14)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415082 (CHEMBL583035) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15BrFIN4O5S2/c23-14-8-11(4-7-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415080 (CHEMBL585157) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15Br2FN4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-15(25)14(24)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415083 (CHEMBL566574) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r| Show InChI InChI=1S/C24H16BrCl2FN4O5S/c25-14-8-12(4-5-17(14)28)9-20(24(34)35)31-23(33)13-10-15(26)16(27)11-19(13)32-38(36,37)21-3-1-2-18-22(21)30-7-6-29-18/h1-8,10-11,20,32H,9H2,(H,31,33)(H,34,35)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415078 (CHEMBL565298) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15BrClFN4O5S2/c23-14-8-11(4-7-15(14)25)9-18(22(31)32)26-21(30)13-6-5-12(24)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415079 (CHEMBL569391) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 |r| Show InChI InChI=1S/C24H17BrClFN4O5S/c25-16-10-13(4-7-17(16)27)11-20(24(33)34)30-23(32)15-6-5-14(26)12-19(15)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415077 (CHEMBL584525) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 |r| Show InChI InChI=1S/C24H17Br2ClN4O5S/c25-14-5-6-15(23(32)30-20(24(33)34)11-13-4-7-17(27)16(26)10-13)19(12-14)31-37(35,36)21-3-1-2-18-22(21)29-9-8-28-18/h1-10,12,20,31H,11H2,(H,30,32)(H,33,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415084 (CHEMBL565324) Show SMILES OC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H14BrCl2FN4O5S2/c23-12-6-10(4-5-15(12)26)7-18(22(32)33)27-21(31)11-8-13(24)14(25)9-17(11)30-37(34,35)19-3-1-2-16-20(19)29-36-28-16/h1-6,8-9,18,30H,7H2,(H,27,31)(H,32,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50121205 (CHEBI:18295 | Histamine) Show SMILES NCCc1c[nH]cn1 Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415085 (CHEMBL570520) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15Br2ClN4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-15(25)14(24)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50415053 (CHEMBL583457) Show SMILES CC(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H17Cl3N4O3S2/c1-12(13-5-8-16(24)17(25)9-13)11-26-22(30)15-7-6-14(23)10-19(15)29-34(31,32)20-4-2-3-18-21(20)28-33-27-18/h2-10,12,29H,11H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6373-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.064 BindingDB Entry DOI: 10.7270/Q2222W1W
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50471064 (CHEMBL301810) Show SMILES OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |TLB:41:40:43:36.35.37,41:36:43:40.42.39,THB:39:38:35:40.42.41,39:40:35:38.43.37| Show InChI InChI=1S/C40H39N3O7/c44-35(41-22-40-19-24-10-25(20-40)12-26(11-24)21-40)32-17-27-8-4-5-9-28(27)18-33(32)36(45)43-34(13-23-6-2-1-3-7-23)37(46)42-31-15-29(38(47)48)14-30(16-31)39(49)50/h1-9,14-18,24-26,34H,10-13,19-22H2,(H,41,44)(H,42,46)(H,43,45)(H,47,48)(H,49,50)/t24?,25?,26?,34-,40?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215548 (CHEMBL301176) Show SMILES O=S(=O)(NCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50216735 (CHEMBL55836) Show SMILES O=S(=O)(NCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H17N3O2S/c20-22(21,19-9-3-6-15-11-17-12-18-15)16-8-7-13-4-1-2-5-14(13)10-16/h1-2,4-5,7-8,10-12,19H,3,6,9H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215549 (CHEMBL53361) Show SMILES O=S(=O)(NCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H21N3O2S/c22-24(23,18-10-9-15-6-3-4-7-16(15)12-18)21-11-5-1-2-8-17-13-19-14-20-17/h3-4,6-7,9-10,12-14,21H,1-2,5,8,11H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415066 (CHEMBL585914) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15Cl3N4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-14(24)15(25)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from CCK2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6373-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.064 BindingDB Entry DOI: 10.7270/Q2222W1W
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415066 (CHEMBL585914) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15Cl3N4O5S2/c23-12-5-6-13(21(30)26-18(22(31)32)9-11-4-7-14(24)15(25)8-11)17(10-12)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50216734 (CHEMBL300704) Show SMILES O=S(=O)(CCC1CCCCC1)NCCc1c[nH]cn1 Show InChI InChI=1S/C13H23N3O2S/c17-19(18,9-7-12-4-2-1-3-5-12)16-8-6-13-10-14-11-15-13/h10-12,16H,1-9H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50475510 (CHEMBL2067967) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2[nH]cnc2cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r,TLB:23:22:25:18.17.19,23:18:25:22.24.21,THB:21:22:17:20.25.19,21:20:17:22.24.23| Show InChI InChI=1S/C38H39N5O7.C7H17NO5/c1-43(19-38-16-22-7-23(17-38)9-24(8-22)18-38)35(46)29-15-31-30(39-20-40-31)14-28(29)33(44)42-32(10-21-5-3-2-4-6-21)34(45)41-27-12-25(36(47)48)11-26(13-27)37(49)50;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,11-15,20,22-24,32H,7-10,16-19H2,1H3,(H,39,40)(H,41,45)(H,42,44)(H,47,48)(H,49,50);4-13H,2-3H2,1H3/t22?,23?,24?,32-,38?;4-,5+,6+,7+/m00/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215548 (CHEMBL301176) Show SMILES O=S(=O)(NCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215543 (CHEMBL55018) Show SMILES O=S(=O)(NCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H19N3O2S/c21-23(22,20-10-4-3-7-16-12-18-13-19-16)17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11-13,20H,3-4,7,10H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50196190 (1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4...) Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 Show InChI InChI=1S/C18H17BrN4O3S2/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]CCK8S from human CCK2R				Bioorg Med Chem 16: 3917-25 (2008) Article DOI: 10.1016/j.bmc.2008.01.059 BindingDB Entry DOI: 10.7270/Q2D79F5S
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50196190 (1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4...) Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 Show InChI InChI=1S/C18H17BrN4O3S2/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]CCK-8S from CCK2 receptor				Bioorg Med Chem Lett 17: 6905-9 (2007) Article DOI: 10.1016/j.bmcl.2007.09.087 BindingDB Entry DOI: 10.7270/Q2G73HJW
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50475518 (CHEMBL2067951) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN([C@@H](Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)C(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 |r,TLB:60:59:62:55.54.56,60:55:62:59.61.58,THB:58:59:54:57.62.56,58:57:54:59.61.60| Show InChI InChI=1S/C38H39N5O7.C7H17NO5/c1-43(32(10-21-5-3-2-4-6-21)34(45)42-27-12-25(36(47)48)11-26(13-27)37(49)50)35(46)29-15-31-30(40-20-41-31)14-28(29)33(44)39-19-38-16-22-7-23(17-38)9-24(8-22)18-38;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,11-15,20,22-24,32H,7-10,16-19H2,1H3,(H,39,44)(H,40,41)(H,42,45)(H,47,48)(H,49,50);4-13H,2-3H2,1H3/t22?,23?,24?,32-,38?;4-,5+,6+,7+/m00/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215539 (CHEMBL417017) Show SMILES O=S(=O)(NCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N3O2S/c23-25(24,19-11-10-16-7-4-5-8-17(16)13-19)22-12-6-2-1-3-9-18-14-20-15-21-18/h4-5,7-8,10-11,13-15,22H,1-3,6,9,12H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50415058 (CHEMBL571206) Show SMILES C[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)[C@@H](O)c1cccc(Br)c1 |r| Show InChI InChI=1S/C22H18BrClN4O4S2/c1-12(21(29)13-4-2-5-14(23)10-13)25-22(30)16-9-8-15(24)11-18(16)28-34(31,32)19-7-3-6-17-20(19)27-33-26-17/h2-12,21,28-29H,1H3,(H,25,30)/t12-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6373-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.064 BindingDB Entry DOI: 10.7270/Q2222W1W
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415076 (CHEMBL583344) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(I)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15Cl2IN4O5S2/c23-14-7-4-11(8-15(14)24)9-18(22(31)32)26-21(30)13-6-5-12(25)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from human CCK-2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6376-8 (2009) Article DOI: 10.1016/j.bmcl.2009.09.065 BindingDB Entry DOI: 10.7270/Q2X92CJK
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50216734 (CHEMBL300704) Show SMILES O=S(=O)(CCC1CCCCC1)NCCc1c[nH]cn1 Show InChI InChI=1S/C13H23N3O2S/c17-19(18,9-7-12-4-2-1-3-5-12)16-8-6-13-10-14-11-15-13/h10-12,16H,1-9H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50415052 (CHEMBL583343) Show SMILES Clc1ccc(cc1)C(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H19Cl3N4O3S2/c28-18-8-4-16(5-9-18)22(17-6-10-19(29)11-7-17)15-31-27(35)21-13-12-20(30)14-24(21)34-39(36,37)25-3-1-2-23-26(25)33-38-32-23/h1-14,22,34H,15H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6373-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.064 BindingDB Entry DOI: 10.7270/Q2222W1W
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215539 (CHEMBL417017) Show SMILES O=S(=O)(NCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C19H23N3O2S/c23-25(24,19-11-10-16-7-4-5-8-17(16)13-19)22-12-6-2-1-3-9-18-14-20-15-21-18/h4-5,7-8,10-11,13-15,22H,1-3,6,9,12H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215549 (CHEMBL53361) Show SMILES O=S(=O)(NCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C18H21N3O2S/c22-24(23,18-10-9-15-6-3-4-7-16(15)12-18)21-11-5-1-2-8-17-13-19-14-20-17/h3-4,6-7,9-10,12-14,21H,1-2,5,8,11H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50196191 (4-[4-iodo-2-[(5-quinoxalinylsulfonyl)amino]benzoyl...) Show SMILES Ic1ccc(C(=O)N2CCOCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1 Show InChI InChI=1S/C19H17IN4O4S/c20-13-4-5-14(19(25)24-8-10-28-11-9-24)16(12-13)23-29(26,27)17-3-1-2-15-18(17)22-7-6-21-15/h1-7,12,23H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]CCK8S from human CCK2R				Bioorg Med Chem 16: 3917-25 (2008) Article DOI: 10.1016/j.bmc.2008.01.059 BindingDB Entry DOI: 10.7270/Q2D79F5S
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50475513 (CHEMBL2067963) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:49:44:47.52.46,48:47:44:49.51.50| Show InChI InChI=1S/C36H37N3O7.C7H17NO5/c40-31(37-20-36-17-22-10-23(18-36)12-24(11-22)19-36)28-8-4-5-9-29(28)32(41)39-30(13-21-6-2-1-3-7-21)33(42)38-27-15-25(34(43)44)14-26(16-27)35(45)46;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-9,14-16,22-24,30H,10-13,17-20H2,(H,37,40)(H,38,42)(H,39,41)(H,43,44)(H,45,46);4-13H,2-3H2,1H3/t22?,23?,24?,30-,36?;4-,5+,6+,7+/m00/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
James Black Foundation Curated by ChEMBL					Assay Description Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor				J Med Chem 48: 6790-802 (2005) Article DOI: 10.1021/jm049069y BindingDB Entry DOI: 10.7270/Q2BC428F
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215543 (CHEMBL55018) Show SMILES O=S(=O)(NCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H19N3O2S/c21-23(22,20-10-4-3-7-16-12-18-13-19-16)17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11-13,20H,3-4,7,10H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50089295 (1-(5-(4-nitrophenoxy)pentyl)pyrrolidine | 1-[5-(4-...) Show SMILES [O-][N+](=O)c1ccc(OCCCCCN2CCCC2)cc1 Show InChI InChI=1S/C15H22N2O3/c18-17(19)14-6-8-15(9-7-14)20-13-5-1-2-10-16-11-3-4-12-16/h6-9H,1-5,10-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards histamine H3 receptor was determined in guinea-pig cerebral cortex using [3H]-(R)-alpha-methylhista...				J Med Chem 43: 2362-70 (2000) BindingDB Entry DOI: 10.7270/Q2WS8SGF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50415068 (CHEMBL569470) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)c(Br)c1)NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 |r| Show InChI InChI=1S/C22H15BrCl2N4O5S2/c23-14-8-11(4-7-15(14)25)9-18(22(31)32)26-21(30)13-6-5-12(24)10-17(13)29-36(33,34)19-3-1-2-16-20(19)28-35-27-16/h1-8,10,18,29H,9H2,(H,26,30)(H,31,32)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from CCK2R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6373-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.064 BindingDB Entry DOI: 10.7270/Q2222W1W
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50196157 (1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4...) Show SMILES Clc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 Show InChI InChI=1S/C18H17ClN4O3S2/c19-12-7-8-13(18(24)23-9-2-1-3-10-23)15(11-12)22-28(25,26)16-6-4-5-14-17(16)21-27-20-14/h4-8,11,22H,1-3,9-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]CCK8S from human CCK2R				Bioorg Med Chem 16: 3917-25 (2008) Article DOI: 10.1016/j.bmc.2008.01.059 BindingDB Entry DOI: 10.7270/Q2D79F5S
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215538 (CHEMBL52090) Show SMILES O=S(=O)(NCCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N3O2S/c24-26(25,20-12-11-17-8-5-6-9-18(17)14-20)23-13-7-3-1-2-4-10-19-15-21-16-22-19/h5-6,8-9,11-12,14-16,23H,1-4,7,10,13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50215538 (CHEMBL52090) Show SMILES O=S(=O)(NCCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H25N3O2S/c24-26(25,20-12-11-17-8-5-6-9-18(17)14-20)23-13-7-3-1-2-4-10-19-15-21-16-22-19/h5-6,8-9,11-12,14-16,23H,1-4,7,10,13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50415072 (CHEMBL565511) Show SMILES CC(C)(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H20Cl2N4O3S2/c1-23(2,14-6-8-15(24)9-7-14)13-26-22(30)17-11-10-16(25)12-19(17)29-34(31,32)20-5-3-4-18-21(20)28-33-27-18/h3-12,29H,13H2,1-2H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting				Bioorg Med Chem Lett 19: 6373-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.064 BindingDB Entry DOI: 10.7270/Q2222W1W
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50216733 (CHEMBL52080) Show SMILES O=S(=O)(NCCc1c[nH]cn1)\C=C\c1ccccc1 Show InChI InChI=1S/C13H15N3O2S/c17-19(18,9-7-12-4-2-1-3-5-12)16-8-6-13-10-14-11-15-13/h1-5,7,9-11,16H,6,8H2,(H,14,15)/b9-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The James Black Foundation Curated by ChEMBL					Assay Description Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates				Bioorg Med Chem Lett 9: 1825-30 (1999) BindingDB Entry DOI: 10.7270/Q24T6MKG
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50478086 (CHEMBL261682) Show SMILES Brc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nccnc23)c1 Show InChI InChI=1S/C20H19BrN4O3S/c21-14-7-8-15(20(26)25-11-2-1-3-12-25)17(13-14)24-29(27,28)18-6-4-5-16-19(18)23-10-9-22-16/h4-10,13,24H,1-3,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [125I]CCK8S from human CCK2R				Bioorg Med Chem 16: 3917-25 (2008) Article DOI: 10.1016/j.bmc.2008.01.059 BindingDB Entry DOI: 10.7270/Q2D79F5S
					More data for this Ligand-Target Pair

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