Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50036581   

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
Cholecystokinin receptor type A (RAT)	BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50061828 (CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50061832 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50061833 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50369326 (CHEMBL1791002) Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50369325 (CHEMBL1791005) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50061834 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50061832 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50061830 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)/t32-,33-,34-,35-,36+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50061834 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36+,37-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50061830 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)/t32-,33-,34-,35-,36+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50061828 (CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50061833 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50369325 (CHEMBL1791005) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50061829 ((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...) Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50369326 (CHEMBL1791002) Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes				J Med Chem 40: 4302-7 (1998) Article DOI: 10.1021/jm970477u BindingDB Entry DOI: 10.7270/Q2B858TF
					More data for this Ligand-Target Pair