Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50035991   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50008175 (4-(8-Aza-spiro[4.5]dec-8-ylcarbamoyl)-4-(3-chloro-...) Show SMILES OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCC2)CC1 Show InChI InChI=1S/C21H28ClN3O4/c22-16-5-3-4-15(14-16)19(28)23-17(6-7-18(26)27)20(29)24-25-12-10-21(11-13-25)8-1-2-9-21/h3-5,14,17H,1-2,6-13H2,(H,23,28)(H,24,29)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50008202 (4-(3,5-Dichloro-benzoylamino)-4-(3,3-dimethyl-buty...) Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H24Cl2N2O4/c1-18(2,3)6-7-21-17(26)14(4-5-15(23)24)22-16(25)11-8-12(19)10-13(20)9-11/h8-10,14H,4-7H2,1-3H3,(H,21,26)(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50008184 (4-(3-Chloro-benzoylamino)-4-(3,3-dimethyl-butylcar...) Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H25ClN2O4/c1-18(2,3)9-10-20-17(25)14(7-8-15(22)23)21-16(24)12-5-4-6-13(19)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50008163 (4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3,5-dichlor...) Show SMILES OC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:25:26:30:24.23.29,THB:25:24:30:26.31.27,27:28:23:26.31.25,27:26:23:28.30.29| Show InChI InChI=1S/C24H30Cl2N2O4/c25-18-8-17(9-19(26)10-18)22(31)28-20(1-2-21(29)30)23(32)27-4-3-24-11-14-5-15(12-24)7-16(6-14)13-24/h8-10,14-16,20H,1-7,11-13H2,(H,27,32)(H,28,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50008190 (4-(2-Adamantan-1-yl-ethylcarbamoyl)-4-(3-chloro-be...) Show SMILES OC(=O)CCC(NC(=O)c1cccc(Cl)c1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:28:27:30:23.22.24,28:23:30:27.29.26,24:25:29:23.22.28,THB:24:23:29:25.30.26| Show InChI InChI=1S/C24H31ClN2O4/c25-19-3-1-2-18(11-19)22(30)27-20(4-5-21(28)29)23(31)26-7-6-24-12-15-8-16(13-24)10-17(9-15)14-24/h1-3,11,15-17,20H,4-10,12-14H2,(H,26,31)(H,27,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to Cholecystokinin type B receptor in rabbit gastric gland				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair