Compile Data Set for Download or QSAR

Found 400 hits with Last Name = 'ferrari' and Initial = 'f'   

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 (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]-BH-JMV-179 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054088 ((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...) Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054088 ((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...) Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054084 ((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...) Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054084 ((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...) Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054089 ((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224) Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054089 ((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224) Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM82247 (8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...) Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054084 ((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...) Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054084 ((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...) Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054091 ((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...) Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054091 ((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...) Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054088 ((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...) Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054088 ((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...) Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054090 ((1R,2R)-2-Dipropylamino-1-phenyl-indan-5-ol | CHEM...) Show SMILES CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-15-17-14-18(23)10-11-19(17)21(20)16-8-6-5-7-9-16/h5-11,14,20-21,23H,3-4,12-13,15H2,1-2H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054090 ((1R,2R)-2-Dipropylamino-1-phenyl-indan-5-ol | CHEM...) Show SMILES CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-15-17-14-18(23)10-11-19(17)21(20)16-8-6-5-7-9-16/h5-11,14,20-21,23H,3-4,12-13,15H2,1-2H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054089 ((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224) Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054089 ((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224) Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50054087 (6-[(3-Amino-propyl)-phenethyl-amino]-5,6,7,8-tetra...) Show SMILES NCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1 Show InChI InChI=1S/C21H28N2O/c22-13-5-14-23(15-12-17-6-2-1-3-7-17)19-10-11-20-18(16-19)8-4-9-21(20)24/h1-4,6-9,19,24H,5,10-16,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360273 (CHEMBL1933100) Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054093 ((1R,2R)-2-Amino-1,2-dimethyl-1-phenyl-indan-5,6-di...) Show SMILES C[C@@]1(N)Cc2cc(O)c(O)cc2[C@@]1(C)c1ccccc1 Show InChI InChI=1S/C17H19NO2/c1-16(18)10-11-8-14(19)15(20)9-13(11)17(16,2)12-6-4-3-5-7-12/h3-9,19-20H,10,18H2,1-2H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [3H]-SR-27897 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (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	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50510201 (CHEMBL4574757) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50119657 (8-Butyl-7-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)CC1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-23(33)17-26(14-6-7-15-26)25(34)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane				J Med Chem 51: 2137-46 (2008) Article DOI: 10.1021/jm7011563 BindingDB Entry DOI: 10.7270/Q20P10X0
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054085 ((1R,2R)-2-Amino-1-phenyl-indan-5-ol | CHEMBL336366) Show SMILES N[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1 Show InChI InChI=1S/C15H15NO/c16-14-9-11-8-12(17)6-7-13(11)15(14)10-4-2-1-3-5-10/h1-8,14-15,17H,9,16H2/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054085 ((1R,2R)-2-Amino-1-phenyl-indan-5-ol | CHEMBL336366) Show SMILES N[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1 Show InChI InChI=1S/C15H15NO/c16-14-9-11-8-12(17)6-7-13(11)15(14)10-4-2-1-3-5-10/h1-8,14-15,17H,9,16H2/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50089990 (2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)C2(CCCC2)C1=O Show InChI InChI=1S/C25H28N6O2/c1-2-3-16-30-23(32)25(14-6-7-15-25)24(33)31(30)17-18-10-12-19(13-11-18)20-8-4-5-9-21(20)22-26-28-29-27-22/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane				J Med Chem 51: 2137-46 (2008) Article DOI: 10.1021/jm7011563 BindingDB Entry DOI: 10.7270/Q20P10X0
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054091 ((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...) Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50054091 ((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...) Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50510200 (CHEMBL4577032) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22+,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50443391 (CHEMBL469695) Show SMILES Fc1ccc(CNC(=O)N2CCN3C(C2)C(OC3=O)(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human NPSR by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02223 BindingDB Entry DOI: 10.7270/Q2NG4VKT
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50185262 ((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50119658 (7-Butyl-8-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCN1N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(=O)CC2(CCCC2)C1=O Show InChI InChI=1S/C26H30N6O2/c1-2-3-16-31-25(34)26(14-6-7-15-26)17-23(33)32(31)18-19-10-12-20(13-11-19)21-8-4-5-9-22(21)24-27-29-30-28-24/h4-5,8-13H,2-3,6-7,14-18H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane				J Med Chem 51: 2137-46 (2008) Article DOI: 10.1021/jm7011563 BindingDB Entry DOI: 10.7270/Q20P10X0
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50510201 (CHEMBL4574757) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					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	169	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464769 (CHEMBL4290098) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17| Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50464771 (CHEMBL4279417) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11| Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Non-competitive inhibition of human PTP1B using p-nitrophenyl phosphate as substrate up to 7 uM preincubated for 10 mins followed by substrate additi...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50510201 (CHEMBL4574757) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@H](OC)c1ccccc1)[C@H]2C |r,THB:8:9:25:14.13.12,15:14:25:3.9.2| Show InChI InChI=1S/C23H29NO2/c1-16-21-13-18-9-10-19(25)14-20(18)23(16,2)11-12-24(21)15-22(26-3)17-7-5-4-6-8-17/h4-10,14,16,21-22,25H,11-13,15H2,1-3H3/t16-,21+,22-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting				Eur J Med Chem 168: 189-198 (2019) Article DOI: 10.1016/j.ejmech.2019.02.043 BindingDB Entry DOI: 10.7270/Q2T43XD4
					More data for this Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein (Mycobacterium tuberculosis)	BDBM50464771 (CHEMBL4279417) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11| Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Santa Catarina Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...				Eur J Med Chem 144: 277-288 (2018) Article DOI: 10.1016/j.ejmech.2017.11.087 BindingDB Entry DOI: 10.7270/Q2GX4F79
					More data for this Ligand-Target Pair
Cholecystokinin receptor type A (Homo sapiens (Human))	BDBM50360275 (CHEMBL1933103) Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	973	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM55121 (3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...) Show SMILES NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.				J Med Chem 39: 4238-46 (1996) Article DOI: 10.1021/jm960318v BindingDB Entry DOI: 10.7270/Q2WQ04FD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50360276 (CHEMBL1933104) Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50360275 (CHEMBL1933103) Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r| Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
University of Trieste Curated by ChEMBL					Assay Description Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting				J Med Chem 54: 5769-85 (2011) Article DOI: 10.1021/jm200438b BindingDB Entry DOI: 10.7270/Q2BP036J
					More data for this Ligand-Target Pair

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