Compile Data Set for Download or QSAR

Found 3827 hits with Last Name = 'storck' and Initial = 'p'   

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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513177 (CHEMBL4444602) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CCOCC2)cc1 Show InChI InChI=1S/C28H31N5O4S/c1-18(2)38(34,35)23-9-7-21(8-10-23)25-17-31-28(29)27(32-25)26-15-24(33-37-26)20-5-3-19(4-6-20)16-30-22-11-13-36-14-12-22/h3-10,15,17-18,22,30H,11-14,16H2,1-2H3,(H2,29,31)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236864 (CHEMBL4096473) Show SMILES [H][C@]12CCC[C@H](N(C)C)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O3/c1-23(2)16-5-4-6-17-19(16)25(10-9-24(17)20(27)28-3)18(26)12-13-7-8-14(21)15(22)11-13/h7-8,11,16-17,19H,4-6,9-10,12H2,1-3H3/t16-,17-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]DA using rat nerve endings obtained from brain regions enriched in DAT.				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM350085 (3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...) Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50325534 (CHEMBL267495 | nalfurafine) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420857 (US10479784, Compound IIA-10 | US10961232, Compound...) Show SMILES CCNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C25H27N5O3S/c1-4-27-14-17-5-7-18(8-6-17)21-13-23(33-30-21)24-25(26)28-15-22(29-24)19-9-11-20(12-10-19)34(31,32)16(2)3/h5-13,15-16,27H,4,14H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130757 (CHEMBL3634516) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130757 (CHEMBL3634516) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420852 (US10479784, Compound IIA-5 | US10961232, Compound ...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CN)cc1 Show InChI InChI=1S/C23H23N5O3S/c1-14(2)32(29,30)18-9-7-17(8-10-18)20-13-26-23(25)22(27-20)21-11-19(28-31-21)16-5-3-15(12-24)4-6-16/h3-11,13-14H,12,24H2,1-2H3,(H2,25,26)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236870 (CHEMBL4064380) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(c(Cl)c1)C(F)(F)F |r| Show InChI InChI=1S/C23H29ClF3N3O4/c1-34-22(33)29-9-10-30(20(32)12-14-5-6-16(17(24)11-14)23(25,26)27)21-18(3-2-4-19(21)29)28-8-7-15(31)13-28/h5-6,11,15,18-19,21,31H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236878 (CHEMBL4084350) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H29Cl2N3O3S/c1-30(28,29)26-12-11-25(20(27)14-15-7-8-16(22)17(23)13-15)21-18(5-4-6-19(21)26)24-9-2-3-10-24/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50000780 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1...) 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-/m0/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
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130756 (CHEMBL3634515) Show SMILES [H][C@@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50130756 (CHEMBL3634515) Show SMILES [H][C@@]12CCC[C@@H](N3CCCC3)[C@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O3/c1-30-22(29)26-11-12-27(20(28)14-15-7-8-16(23)17(24)13-15)21-18(5-4-6-19(21)26)25-9-2-3-10-25/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3/t18-,19-,21+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236871 (CHEMBL4069231) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N3O/c21-15-7-6-14(12-16(15)22)13-19(26)25-11-8-23-17-4-3-5-18(20(17)25)24-9-1-2-10-24/h6-7,12,17-18,20,23H,1-5,8-11,13H2/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50027433 (CHEMBL603370 | GR-89696) Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50325534 (CHEMBL267495 | nalfurafine) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50325534 (CHEMBL267495 | nalfurafine) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236886 (CHEMBL4099849) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H33Cl2N3O3/c1-2-32-23(31)16-28-12-13-29(22(30)15-17-8-9-18(25)19(26)14-17)24-20(6-5-7-21(24)28)27-10-3-4-11-27/h8-9,14,20-21,24H,2-7,10-13,15-16H2,1H3/t20-,21-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236865 (CHEMBL4095192) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513173 (CHEMBL4566104) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@@H](C)N |r| Show InChI InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236874 (CHEMBL4072961) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](F)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C22H28ClF2N3O3/c1-31-22(30)27-9-10-28(20(29)12-14-5-6-17(25)16(23)11-14)21-18(3-2-4-19(21)27)26-8-7-15(24)13-26/h5-6,11,15,18-19,21H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]NE from Norepinephrine transporter of rat brain				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236875 (CHEMBL4074031) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H29Cl2N3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-16(22)17(23)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring inhibiting the binding of [3H]citalopram to Serotonin transporter in rat brain tissue				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236868 (CHEMBL4091184) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H30ClN3O4/c1-30-22(29)25-11-12-26(20(28)13-15-5-7-16(23)8-6-15)21-18(3-2-4-19(21)25)24-10-9-17(27)14-24/h5-8,17-19,21,27H,2-4,9-14H2,1H3/t17-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35248 from dopamine transporter (DAT) of rat striatal membrane				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236872 (CHEMBL4072972) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H31Cl2N3O3/c1-31-22(30)15-27-11-12-28(21(29)14-16-7-8-17(24)18(25)13-16)23-19(5-4-6-20(23)27)26-9-2-3-10-26/h7-8,13,19-20,23H,2-6,9-12,14-15H2,1H3/t19-,20-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513176 (CHEMBL4448538) Show SMILES CNCc1ccc(-c2cc(on2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(Cl)c1 Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)17-7-5-16(6-8-17)21-13-28-24(26)23(29-21)22-11-20(30-33-22)18-9-4-15(12-27-3)10-19(18)25/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236879 (CHEMBL4069149) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H30ClFN4O5S/c25-19-5-4-16(12-20(19)26)13-23(32)29-9-10-30(36(33,34)15-17-7-11-35-27-17)22-3-1-2-21(24(22)29)28-8-6-18(31)14-28/h4-5,7,11-12,18,21-22,24,31H,1-3,6,8-10,13-15H2/t18-,21-,22-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236866 (CHEMBL4061582) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C22H29ClFN3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-17(24)16(23)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236881 (CHEMBL4094571) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2S(=O)(=O)N(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H32Cl2N4O3S/c1-25(2)32(30,31)28-13-12-27(21(29)15-16-8-9-17(23)18(24)14-16)22-19(6-5-7-20(22)28)26-10-3-4-11-26/h8-9,14,19-20,22H,3-7,10-13,15H2,1-2H3/t19-,20-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM21130 (N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...) Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236882 (CHEMBL4096405) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(=O)(=O)Cc1ccon1)C(=O)Cc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H31ClN4O5S/c25-18-6-4-17(5-7-18)14-23(31)28-11-12-29(35(32,33)16-19-9-13-34-26-19)22-3-1-2-21(24(22)28)27-10-8-20(30)15-27/h4-7,9,13,20-22,24,30H,1-3,8,10-12,14-16H2/t20-,21-,22-,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513178 (CHEMBL4434665) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O2S2/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420609 (US10479784, Compound IA-116 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C21H19N5O3S/c1-13(2)30(27,28)16-10-8-14(9-11-16)17-12-23-19(22)18(24-17)21-26-25-20(29-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513181 (CHEMBL4440048) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-16(9-11-17)19-13-24-22(23)21(25-19)20-12-18(26-29-20)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513172 (CHEMBL4467848) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(cc1)[C@H](C)N |r| Show InChI InChI=1S/C24H25N5O3S/c1-14(2)33(30,31)19-10-8-18(9-11-19)21-13-27-24(26)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)15(3)25/h4-15H,25H2,1-3H3,(H2,26,27)/t15-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236876 (CHEMBL4070248) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C22H29F2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat brain tissue				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236873 (CHEMBL4099840) Show SMILES [H][C@]12CCC[C@H](N3CC[C@@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C22H29Cl2N3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18+,19+,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from serotonin transporter of rat brain				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236877 (CHEMBL4064388) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CC(=O)OC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C25H35Cl2N3O3/c1-17(2)33-24(32)16-29-12-13-30(23(31)15-18-8-9-19(26)20(27)14-18)25-21(6-5-7-22(25)29)28-10-3-4-11-28/h8-9,14,17,21-22,25H,3-7,10-13,15-16H2,1-2H3/t21-,22-,25+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236883 (CHEMBL4092106) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)C(=O)NC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H30Cl2N4O3/c1-26-22(31)23(32)28-11-12-29(20(30)14-15-7-8-16(24)17(25)13-15)21-18(5-4-6-19(21)28)27-9-2-3-10-27/h7-8,13,18-19,21H,2-6,9-12,14H2,1H3,(H,26,31)/t18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236869 (CHEMBL4092100) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H30ClN3O4/c1-30-22(29)25-10-11-26(20(28)13-15-4-2-5-16(23)12-15)21-18(6-3-7-19(21)25)24-9-8-17(27)14-24/h2,4-5,12,17-19,21,27H,3,6-11,13-14H2,1H3/t17-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]NE from Norepinephrine transporter of rat brain				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236884 (CHEMBL4060558) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C21H29ClFN3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-17(23)16(22)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236867 (CHEMBL4083401) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2C(=O)OC)C(=O)Cc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C22H29ClFN3O4/c1-31-22(30)26-9-10-27(20(29)12-14-5-6-16(23)17(24)11-14)21-18(3-2-4-19(21)26)25-8-7-15(28)13-25/h5-6,11,15,18-19,21,28H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50513175 (CHEMBL4530813) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S/c1-14(2)30(27,28)17-10-8-15(9-11-17)19-13-24-22(23)21(25-19)18-12-20(29-26-18)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,23,24)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236885 (CHEMBL4088788) Show SMILES [H][C@]12CCC[C@H](N3CC[C@H](O)C3)[C@@]1([H])N(CCN2S(C)(=O)=O)C(=O)Cc1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C21H29ClFN3O4S/c1-31(29,30)26-10-9-25(20(28)12-14-5-6-16(22)17(23)11-14)21-18(3-2-4-19(21)26)24-8-7-15(27)13-24/h5-6,11,15,18-19,21,27H,2-4,7-10,12-13H2,1H3/t15-,18-,19-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM54795 ((4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-2,4,5,6,7...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG 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
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-type opioid receptor in guinea pig brain membranes after 120 mins by solid scintillation counting				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420860 (US10479784, Compound IIA-13 | US10961232, Compound...) Show SMILES CNCc1ccc(cc1Cl)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H24ClN5O3S/c1-14(2)34(31,32)18-8-6-15(7-9-18)21-13-28-24(26)23(29-21)22-11-20(30-33-22)16-4-5-17(12-27-3)19(25)10-16/h4-11,13-14,27H,12H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...				J Med Chem 62: 5547-5561 (2019) Article DOI: 10.1021/acs.jmedchem.9b00426 BindingDB Entry DOI: 10.7270/Q2BZ69C9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50236880 (CHEMBL4102311) Show SMILES [H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2C(=O)NC(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C24H34Cl2N4O2/c1-16(2)27-24(32)29-12-13-30(22(31)15-17-8-9-18(25)19(26)14-17)23-20(6-5-7-21(23)29)28-10-3-4-11-28/h8-9,14,16,20-21,23H,3-7,10-13,15H2,1-2H3,(H,27,32)/t20-,21-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dr. August Wolff GmbH& Co. KG Arzneimittel Curated by ChEMBL					Assay Description Inhibitory activity towards Beta-Glucosidase from Almond				J Med Chem 60: 2526-2551 (2017) Article DOI: 10.1021/acs.jmedchem.6b01868 BindingDB Entry DOI: 10.7270/Q20C4Z1Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from delta opioid receptor in rat brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from mu opioid receptor in guinea pig brain membrane after 120 mins by scintillation counting				Bioorg Med Chem Lett 25: 5326-30 (2015) Article DOI: 10.1016/j.bmcl.2015.09.040 BindingDB Entry DOI: 10.7270/Q2CV4KJC
					More data for this Ligand-Target Pair

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