Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50006494   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049806 (CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049805 (CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...) Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14| Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD 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
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049805 (CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...) Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14| Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50005463 ((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049808 (CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049806 (CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049809 (CHEMBL126282 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-19(13-14-28-25(31)20-9-5-6-10-22(20)27)16-29-24(17-7-3-2-4-8-17)21-15-18(26)11-12-23(21)30/h2-12,15,19H,13-14,16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049801 (4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...) Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50049805 (CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...) Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14| Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Cholecystokinin type A receptor using [125I]-(BH)-CCK-8 as radioligand in rat pancreas.				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049808 (CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049809 (CHEMBL126282 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-19(13-14-28-25(31)20-9-5-6-10-22(20)27)16-29-24(17-7-3-2-4-8-17)21-15-18(26)11-12-23(21)30/h2-12,15,19H,13-14,16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049801 (4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...) Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50049804 (1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...) Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20| Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-DAMGO as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049806 (CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (RAT)	BDBM50008170 (4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...) Show SMILES CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Cholecystokinin type A receptor using [125I]-(BH)-CCK-8 as radioligand in rat pancreas.				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049805 (CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...) Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14| Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049802 (4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50049804 (1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...) Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20| Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049807 (2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17| Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049808 (CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049809 (CHEMBL126282 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...) Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23ClFN3O/c1-30-19(13-14-28-25(31)20-9-5-6-10-22(20)27)16-29-24(17-7-3-2-4-8-17)21-15-18(26)11-12-23(21)30/h2-12,15,19H,13-14,16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049801 (4-Chloro-N-[2-(7-chloro-1-methyl-5-phenyl-2,3-dihy...) Show SMILES CN1C(CCNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17| Show InChI InChI=1S/C25H23Cl2N3O/c1-30-21(13-14-28-25(31)18-7-9-19(26)10-8-18)16-29-24(17-5-3-2-4-6-17)22-15-20(27)11-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against delta Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50049804 (1H-Indole-2-carboxylic acid [2-(7-chloro-1-methyl-...) Show SMILES CN1C(CCNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:20| Show InChI InChI=1S/C27H25ClN4O/c1-32-21(13-14-29-27(33)24-15-19-9-5-6-10-23(19)31-24)17-30-26(18-7-3-2-4-8-18)22-16-20(28)11-12-25(22)32/h2-12,15-16,21,31H,13-14,17H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against delta Opioid receptor delta 1 using [3H]-DADLE as radioligand in guinea pig brain				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049806 (CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049803 (CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...) Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50049805 (CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...) Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:14| Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Siena Curated by ChEMBL					Assay Description Binding affinity against Cholecystokinin type B receptor using [3H](MeNLE28,31)-CCK-8 as radioligand in guinea pig cerebral cortex.				J Med Chem 39: 860-72 (1996) Article DOI: 10.1021/jm950423p BindingDB Entry DOI: 10.7270/Q2222SVD
					More data for this Ligand-Target Pair