Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'cooke' and Initial = 't'   

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 (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
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)	BDBM50217235 (CHEMBL104827) Show SMILES Brc1ccc(CNS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H19BrN4O2S/c15-13-6-4-12(5-7-13)9-19-22(20,21)18-8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18-19H,1-3,8-9H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217241 (CHEMBL104366) Show SMILES Ic1ccc(CNS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H19IN4O2S/c15-13-6-4-12(5-7-13)9-19-22(20,21)18-8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18-19H,1-3,8-9H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217236 (CHEMBL105744) Show SMILES FC(F)(F)c1ccc(CNS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H19F3N4O2S/c16-15(17,18)13-6-4-12(5-7-13)9-22-25(23,24)21-8-2-1-3-14-10-19-11-20-14/h4-7,10-11,21-22H,1-3,8-9H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217238 (CHEMBL107083) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H19ClN4O2S/c15-13-6-4-12(5-7-13)9-19-22(20,21)18-8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18-19H,1-3,8-9H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217249 (CHEMBL104646) Show SMILES Clc1ccc(CS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H18ClN3O2S/c15-13-6-4-12(5-7-13)10-21(19,20)18-8-2-1-3-14-9-16-11-17-14/h4-7,9,11,18H,1-3,8,10H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217234 (CHEMBL106342) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C16H23ClN4O2S/c17-15-8-6-14(7-9-15)11-21-24(22,23)20-10-4-2-1-3-5-16-12-18-13-19-16/h6-9,12-13,20-21H,1-5,10-11H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					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
Histamine H3 receptor (GUINEA PIG)	BDBM50217237 (CHEMBL105748) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H21ClN4O2S/c16-14-7-5-13(6-8-14)10-20-23(21,22)19-9-3-1-2-4-15-11-17-12-18-15/h5-8,11-12,19-20H,1-4,9-10H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217242 (CHEMBL105495) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C17H25ClN4O2S/c18-16-9-7-15(8-10-16)12-22-25(23,24)21-11-5-3-1-2-4-6-17-13-19-14-20-17/h7-10,13-14,21-22H,1-6,11-12H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217239 (CHEMBL105161) Show SMILES O=S(=O)(NCCCCc1c[nH]cn1)NCc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H24N4O2S/c25-27(26,23-13-5-4-8-20-15-21-16-22-20)24-14-17-9-11-19(12-10-17)18-6-2-1-3-7-18/h1-3,6-7,9-12,15-16,23-24H,4-5,8,13-14H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217243 (CHEMBL104522) Show SMILES Clc1ccc(CS(=O)(=O)NCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C16H22ClN3O2S/c17-15-8-6-14(7-9-15)12-23(21,22)20-10-4-2-1-3-5-16-11-18-13-19-16/h6-9,11,13,20H,1-5,10,12H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217248 (CHEMBL322779) Show SMILES Clc1ccc(CS(=O)(=O)NCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H20ClN3O2S/c16-14-7-5-13(6-8-14)11-22(20,21)19-9-3-1-2-4-15-10-17-12-18-15/h5-8,10,12,19H,1-4,9,11H2,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					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)	BDBM50217240 (CHEMBL104717) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C18H27ClN4O2S/c19-17-10-8-16(9-11-17)13-23-26(24,25)22-12-6-4-2-1-3-5-7-18-14-20-15-21-18/h8-11,14-15,22-23H,1-7,12-13H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217244 (CHEMBL423320) Show SMILES Fc1ccc(CNS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C14H19FN4O2S/c15-13-6-4-12(5-7-13)9-19-22(20,21)18-8-2-1-3-14-10-16-11-17-14/h4-7,10-11,18-19H,1-3,8-9H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					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
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)	BDBM50217245 (CHEMBL106278) Show SMILES COc1ccc(CNS(=O)(=O)NCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C15H22N4O3S/c1-22-15-7-5-13(6-8-15)10-19-23(20,21)18-9-3-2-4-14-11-16-12-17-14/h5-8,11-12,18-19H,2-4,9-10H2,1H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					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)	BDBM50217250 (CHEMBL317420) Show SMILES Clc1ccc(CS(=O)(=O)NCCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C17H24ClN3O2S/c18-16-9-7-15(8-10-16)13-24(22,23)21-11-5-3-1-2-4-6-17-12-19-14-20-17/h7-10,12,14,21H,1-6,11,13H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217251 (CHEMBL320432) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C13H17ClN4O2S/c14-12-5-3-11(4-6-12)8-18-21(19,20)17-7-1-2-13-9-15-10-16-13/h3-6,9-10,17-18H,1-2,7-8H2,(H,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217247 (CHEMBL104320) Show SMILES Clc1ccc(CS(=O)(=O)NCCCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C18H26ClN3O2S/c19-17-10-8-16(9-11-17)14-25(23,24)22-12-6-4-2-1-3-5-7-18-13-20-15-21-18/h8-11,13,15,22H,1-7,12,14H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50217233 (CHEMBL104300) Show SMILES Clc1ccc(CS(=O)(=O)NCCCCCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C20H30ClN3O2S/c21-19-12-10-18(11-13-19)16-27(25,26)24-14-8-6-4-2-1-3-5-7-9-20-15-22-17-23-20/h10-13,15,17,24H,1-9,14,16H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50475522 (CHEMBL2067955) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2cc([nH]c2CC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O |r,TLB:31:32:36:30.29.35,35:30:37:34.36.33,35:34:37:30.29.31,THB:31:30:36:32.37.33| Show InChI InChI=1S/C30H30N2O5/c33-27(31-23-10-21(28(34)35)9-22(11-23)29(36)37)24-12-25(20-4-2-1-3-5-20)32-26(24)16-30-13-17-6-18(14-30)8-19(7-17)15-30/h1-5,9-12,17-19,32H,6-8,13-16H2,(H,31,33)(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	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 (MOUSE)	BDBM50475516 (CHEMBL2067957) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O |r,TLB:31:32:36:30.29.35,35:30:37:34.36.33,35:34:37:30.29.31,THB:31:30:36:32.37.33| Show InChI InChI=1S/C29H29N3O5/c33-26(30-22-10-20(27(34)35)9-21(11-22)28(36)37)24-23(31-25(32-24)19-4-2-1-3-5-19)15-29-12-16-6-17(13-29)8-18(7-16)14-29/h1-5,9-11,16-18H,6-8,12-15H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	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 (MOUSE)	BDBM50475508 (CHEMBL2067956) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccc3ccccc3c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C31H30N2O5/c34-29(32-25-16-23(30(35)36)15-24(17-25)31(37)38)26-18-27(22-12-11-20-9-5-6-10-21(20)14-22)33-28(26)13-19-7-3-1-2-4-8-19/h5-6,9-12,14-19,33H,1-4,7-8,13H2,(H,32,34)(H,35,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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 (MOUSE)	BDBM50475507 (CHEMBL2067961) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2cc([nH]c2CCC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O |r,TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:33:30:35.37.36,34:35:30:33.38.32| Show InChI InChI=1S/C31H32N2O5/c34-28(32-24-12-22(29(35)36)11-23(13-24)30(37)38)25-14-27(21-4-2-1-3-5-21)33-26(25)6-7-31-15-18-8-19(16-31)10-20(9-18)17-31/h1-5,11-14,18-20,33H,6-10,15-17H2,(H,32,34)(H,35,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	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 (MOUSE)	BDBM50475521 (CHEMBL2067950) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C30H29N3O5/c34-28(31-24-16-22(29(35)36)15-23(17-24)30(37)38)26-25(13-18-7-3-1-2-4-8-18)32-27(33-26)21-12-11-19-9-5-6-10-20(19)14-21/h5-6,9-12,14-18H,1-4,7-8,13H2,(H,31,34)(H,32,33)(H,35,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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 (MOUSE)	BDBM50475515 (CHEMBL2067948) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccccc2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C27H28N2O5/c30-25(28-21-14-19(26(31)32)13-20(15-21)27(33)34)22-16-23(18-10-6-3-7-11-18)29-24(22)12-17-8-4-1-2-5-9-17/h3,6-7,10-11,13-17,29H,1-2,4-5,8-9,12H2,(H,28,30)(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	251	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 (MOUSE)	BDBM50475512 (CHEMBL2067962) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 |r,TLB:51:52:56:50.49.55,55:54:57:50.49.51,55:50:57:54.56.53,THB:51:50:56:52.57.53| Show InChI InChI=1S/C36H37N5O5.C7H17NO5/c42-32(37-19-36-16-22-9-23(17-36)11-24(10-22)18-36)27-14-29-30(39-20-38-29)15-28(27)33(43)41-31(12-21-5-2-1-3-6-21)34(44)40-26-8-4-7-25(13-26)35(45)46;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-8,13-15,20,22-24,31H,9-12,16-19H2,(H,37,42)(H,38,39)(H,40,44)(H,41,43)(H,45,46);4-13H,2-3H2,1H3/t22?,23?,24?,31-,36?;4-,5+,6+,7+/m00/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	398	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 (MOUSE)	BDBM50475520 (CHEMBL2067958) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2[nH]cnc2cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)c1cc(cc(c1)C(O)=O)C(O)=O |r,TLB:48:47:50:43.42.44,48:43:50:47.49.46,THB:46:45:42:47.49.48,46:47:42:45.50.44| Show InChI InChI=1S/C38H39N5O7.C7H17NO5/c1-43(27-12-25(36(47)48)11-26(13-27)37(49)50)35(46)32(10-21-5-3-2-4-6-21)42-34(45)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	501	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 (MOUSE)	BDBM50475519 (CHEMBL2067969) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OCc1cc(CO)cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 |r,TLB:56:51:58:55.57.54,56:55:58:51.50.52,THB:54:53:50:55.57.56,54:55:50:53.58.52| Show InChI InChI=1S/C37H41N5O5.C7H17NO5/c43-18-26-9-27(19-44)11-28(10-26)41-36(47)33(12-22-4-2-1-3-5-22)42-35(46)30-14-32-31(39-21-40-32)13-29(30)34(45)38-20-37-15-23-6-24(16-37)8-25(7-23)17-37;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-5,9-11,13-14,21,23-25,33,43-44H,6-8,12,15-20H2,(H,38,45)(H,39,40)(H,41,47)(H,42,46);4-13H,2-3H2,1H3/t23?,24?,25?,33-,37?;4-,5+,6+,7+/m00/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	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 (MOUSE)	BDBM50475514 (CHEMBL2067964) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O |r,TLB:32:33:37:31.30.36,THB:32:31:37:33.38.34,34:33:30:35.37.36,34:35:30:33.38.32| Show InChI InChI=1S/C30H31N3O5/c34-27(31-23-12-21(28(35)36)11-22(13-23)29(37)38)25-24(32-26(33-25)20-4-2-1-3-5-20)6-7-30-14-17-8-18(15-30)10-19(9-17)16-30/h1-5,11-13,17-19H,6-10,14-16H2,(H,31,34)(H,32,33)(H,35,36)(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	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 (MOUSE)	BDBM50475524 (CHEMBL2067960) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)c1 |r| Show InChI InChI=1S/C29H29N3O3/c33-28(30-24-13-7-12-23(18-24)29(34)35)26-25(16-19-8-3-1-2-4-9-19)31-27(32-26)22-15-14-20-10-5-6-11-21(20)17-22/h5-7,10-15,17-19H,1-4,8-9,16H2,(H,30,33)(H,31,32)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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
Cholecystokinin receptor type A (Cavia porcellus)	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 MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	794	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 guinea pig pancreas membrane Cholecystokinin 1 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)	BDBM50217246 (CHEMBL107073) Show SMILES Clc1ccc(CNS(=O)(=O)NCCCCCCCCCCc2c[nH]cn2)cc1 Show InChI InChI=1S/C20H31ClN4O2S/c21-19-12-10-18(11-13-19)15-25-28(26,27)24-14-8-6-4-2-1-3-5-7-9-20-16-22-17-23-20/h10-13,16-17,24-25H,1-9,14-15H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	955	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 Ability to displace [3H]R-alpha-methylhistamine from histamine H3 receptor in guinea pig ileum longitudinal muscle myenteric plexus(LMMP) membranes				Bioorg Med Chem Lett 9: 3103-8 (1999) BindingDB Entry DOI: 10.7270/Q2QN68ZT
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (MOUSE)	BDBM50475523 (CHEMBL2067965) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccccc2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C26H27N3O5/c30-24(27-20-14-18(25(31)32)13-19(15-20)26(33)34)22-21(12-16-8-4-1-2-5-9-16)28-23(29-22)17-10-6-3-7-11-17/h3,6-7,10-11,13-16H,1-2,4-5,8-9,12H2,(H,27,30)(H,28,29)(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	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 (MOUSE)	BDBM50475517 (CHEMBL2067954) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3[nH]ccc3c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C28H28N4O5/c33-26(30-21-14-19(27(34)35)13-20(15-21)28(36)37)24-23(11-16-5-3-1-2-4-6-16)31-25(32-24)18-7-8-22-17(12-18)9-10-29-22/h7-10,12-16,29H,1-6,11H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	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 (MOUSE)	BDBM50475525 (CHEMBL2067971) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cccc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccc3ccccc3c2)c1 |r| Show InChI InChI=1S/C30H30N2O3/c33-29(31-25-13-7-12-24(18-25)30(34)35)26-19-27(23-15-14-21-10-5-6-11-22(21)17-23)32-28(26)16-20-8-3-1-2-4-9-20/h5-7,10-15,17-20,32H,1-4,8-9,16H2,(H,31,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	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
Cholecystokinin receptor type A (Cavia porcellus)	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 MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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
Cholecystokinin receptor type A (Cavia porcellus)	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 MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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
Cholecystokinin receptor type A (Cavia porcellus)	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 MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50475524 (CHEMBL2067960) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cccc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)c1 |r| Show InChI InChI=1S/C29H29N3O3/c33-28(30-24-13-7-12-23(18-24)29(34)35)26-25(16-19-8-3-1-2-4-9-19)31-27(32-26)22-15-14-20-10-5-6-11-21(20)17-22/h5-7,10-15,17-19H,1-4,8-9,16H2,(H,30,33)(H,31,32)(H,34,35)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50475508 (CHEMBL2067956) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2cc([nH]c2CC2CCCCCC2)-c2ccc3ccccc3c2)cc(c1)C(O)=O |r| Show InChI InChI=1S/C31H30N2O5/c34-29(32-25-16-23(30(35)36)15-24(17-25)31(37)38)26-18-27(22-12-11-20-9-5-6-10-21(20)14-22)33-28(26)13-19-7-3-1-2-4-8-19/h5-6,9-12,14-19,33H,1-4,7-8,13H2,(H,32,34)(H,35,36)(H,37,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.51E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50475516 (CHEMBL2067957) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1cc(NC(=O)c2[nH]c(nc2CC23CC4CC(CC(C4)C2)C3)-c2ccccc2)cc(c1)C(O)=O |r,TLB:31:32:36:30.29.35,35:30:37:34.36.33,35:34:37:30.29.31,THB:31:30:36:32.37.33| Show InChI InChI=1S/C29H29N3O5/c33-26(30-22-10-20(27(34)35)9-21(11-22)28(36)37)24-23(31-25(32-24)19-4-2-1-3-5-19)15-29-12-16-6-17(13-29)8-18(7-16)14-29/h1-5,9-11,16-18H,6-8,12-15H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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 (MOUSE)	BDBM50475509 (CHEMBL2067947) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CCNC(=O)c1cc([nH]c1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |r,TLB:30:31:35:29.28.34,34:33:36:29.28.30,34:29:36:33.35.32,THB:30:29:35:31.36.32| Show InChI InChI=1S/C25H30N2O3/c28-23(29)6-7-26-24(30)20-11-21(19-4-2-1-3-5-19)27-22(20)15-25-12-16-8-17(13-25)10-18(9-16)14-25/h1-5,11,16-18,27H,6-10,12-15H2,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	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
Cholecystokinin receptor type A (Cavia porcellus)	BDBM50475511 (CHEMBL2067953) Show SMILES CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OCc1cc(CO)cc(NC(=O)c2[nH]c(nc2CC2CCCCCC2)-c2ccc3ccccc3c2)c1 |r| Show InChI InChI=1S/C30H33N3O3/c34-18-21-13-22(19-35)15-26(14-21)31-30(36)28-27(16-20-7-3-1-2-4-8-20)32-29(33-28)25-12-11-23-9-5-6-10-24(23)17-25/h5-6,9-15,17,20,34-35H,1-4,7-8,16,18-19H2,(H,31,36)(H,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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
Cholecystokinin receptor type A (Cavia porcellus)	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 MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.16E+3	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 guinea pig pancreas membrane Cholecystokinin 1 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

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