Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'scott' and Initial = 've'   

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
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86244 (A-312110) Show SMILES Fc1ccc(cc1I)[C@@H]1C2C(=O)COCC2=NC2=C1S(=O)(=O)CC2 |r,c:17,19| Show InChI InChI=1S/C16H13FINO4S/c17-9-2-1-8(5-10(9)18)14-15-12(6-23-7-13(15)20)19-11-3-4-24(21,22)16(11)14/h1-2,5,14-15H,3-4,6-7H2/t14-,15?/m1/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86250 (CAS_60559-98-0 | NSC_43345 | P1075) Show SMILES CCC(C)(C)N=C(NC#N)Nc1cccnc1 |w:5.4| Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86250 (CAS_60559-98-0 | NSC_43345 | P1075) Show SMILES CCC(C)(C)N=C(NC#N)Nc1cccnc1 |w:5.4| Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Br J Pharmacol 143: 81-90 (2004) Article DOI: 10.1038/sj.bjp.0705908 BindingDB Entry DOI: 10.7270/Q2QR4VQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86247 (BAY X 9228 | CAS_3038059 | NSC_3038059) Show SMILES CCOc1ccccc1N=C(C[N+]([O-])=O)NC(C)C(C)(C)C |w:9.9| Show InChI InChI=1S/C16H25N3O3/c1-6-22-14-10-8-7-9-13(14)18-15(11-19(20)21)17-12(2)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86250 (CAS_60559-98-0 | NSC_43345 | P1075) Show SMILES CCC(C)(C)N=C(NC#N)Nc1cccnc1 |w:5.4| Show InChI InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86247 (BAY X 9228 | CAS_3038059 | NSC_3038059) Show SMILES CCOc1ccccc1N=C(C[N+]([O-])=O)NC(C)C(C)(C)C |w:9.9| Show InChI InChI=1S/C16H25N3O3/c1-6-22-14-10-8-7-9-13(14)18-15(11-19(20)21)17-12(2)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50110068 (3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl...) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(C)C Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50122102 (3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...) Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374178 (CHEMBL411120) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc2n(Cc3cccc(c3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H17ClF3N3O2/c25-20-12-16(7-8-22(20)32)23(33)30-29-13-17-4-2-6-21-19(17)9-10-31(21)14-15-3-1-5-18(11-15)24(26,27)28/h1-13,32H,14H2,(H,30,33)/b29-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86245 (CAS_85371-64-8 | NSC_4826 | PINACIDIL) Show SMILES CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C |w:2.1| Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374184 (CHEMBL270677) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-5-8-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-3-6-17(7-4-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374179 (CHEMBL409325) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2ccc(cc2)C(C)C)c1OC Show InChI InChI=1S/C26H27ClN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-24-12-18(11-23(32-3)25(24)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86251 (CAS_94535-50-9 | CROMAKALIM (-) | NSC_93504) Show SMILES CC1(C)Oc2ccc(cc2C(C1O)N1CCCC1=O)C#N Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374188 (CHEMBL270226) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OCc2c(C)c(C)cc(C)c2C)c1OC Show InChI InChI=1S/C27H29ClN2O5/c1-15-9-16(2)18(4)21(17(15)3)14-35-25-11-19(10-24(33-5)26(25)34-6)13-29-30-27(32)20-7-8-23(31)22(28)12-20/h7-13,31H,14H2,1-6H3,(H,30,32)/b29-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374187 (CHEMBL256379) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1 Show InChI InChI=1S/C23H21ClN2O5/c1-29-20-10-16(13-25-26-23(28)17-8-9-19(27)18(24)12-17)11-21(30-2)22(20)31-14-15-6-4-3-5-7-15/h3-13,27H,14H2,1-2H3,(H,26,28)/b25-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374177 (CHEMBL409729) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H20ClF3N2O5/c1-33-20-9-15(12-29-30-23(32)16-6-7-19(31)18(25)11-16)10-21(34-2)22(20)35-13-14-4-3-5-17(8-14)24(26,27)28/h3-12,31H,13H2,1-2H3,(H,30,32)/b29-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374180 (CHEMBL404071) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(4-9-20(19)29)21(30)28-27-12-14-2-1-3-15(10-14)13-31-18-7-5-17(6-8-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86245 (CAS_85371-64-8 | NSC_4826 | PINACIDIL) Show SMILES CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C |w:2.1| Show InChI InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374186 (CHEMBL272122) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-10-16(7-8-20(19)29)21(30)28-27-12-14-3-1-4-15(9-14)13-31-18-6-2-5-17(11-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	274	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374183 (CHEMBL269990) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H18ClF3N2O4/c1-32-21-10-14(12-28-29-22(31)16-6-7-19(30)18(24)11-16)5-8-20(21)33-13-15-3-2-4-17(9-15)23(25,26)27/h2-12,30H,13H2,1H3,(H,29,31)/b28-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86249 (ZD 6169 | ZD-6169) Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	451	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374182 (CHEMBL272118) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H17ClN2O3/c22-19-12-17(8-11-20(19)25)21(26)24-23-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13,25H,14H2,(H,24,26)/b23-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	522	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374181 (CHEMBL256837) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(6-9-20(19)29)21(30)28-27-12-14-4-7-18(8-5-14)31-13-15-2-1-3-17(10-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86251 (CAS_94535-50-9 | CROMAKALIM (-) | NSC_93504) Show SMILES CC1(C)Oc2ccc(cc2C(C1O)N1CCCC1=O)C#N Show InChI InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	542	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50374185 (CHEMBL255824) Show SMILES Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(OCc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H16ClF3N2O3/c23-19-11-16(7-8-20(19)29)21(30)28-27-12-14-3-2-6-18(10-14)31-13-15-4-1-5-17(9-15)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	554	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Pituitary adenylate cyclase-activating polypeptide type I receptor (Homo sapiens (Human))	BDBM50110055 (3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-be...) Show SMILES CC(C)c1ccc(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(Cl)c4)cccc23)cc1 Show InChI InChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells				Bioorg Med Chem Lett 18: 2162-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.052 BindingDB Entry DOI: 10.7270/Q22J6CQ0
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86249 (ZD 6169 | ZD-6169) Show SMILES C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C17H14F3NO3/c1-16(24,17(18,19)20)15(23)21-13-9-7-12(8-10-13)14(22)11-5-3-2-4-6-11/h2-10,24H,1H3,(H,21,23)/t16-/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86246 (zm244085) Show SMILES O=C1CCCC2=NC3=C(C(C12)c1cccc(c1)C#N)C(=O)CCC3 |c:7,t:5| Show InChI InChI=1S/C20H18N2O2/c21-11-12-4-1-5-13(10-12)18-19-14(6-2-8-16(19)23)22-15-7-3-9-17(24)20(15)18/h1,4-5,10,18-19H,2-3,6-9H2	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	671	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86246 (zm244085) Show SMILES O=C1CCCC2=NC3=C(C(C12)c1cccc(c1)C#N)C(=O)CCC3 |c:7,t:5| Show InChI InChI=1S/C20H18N2O2/c21-11-12-4-1-5-13(10-12)18-19-14(6-2-8-16(19)23)22-15-7-3-9-17(24)20(15)18/h1,4-5,10,18-19H,2-3,6-9H2	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86248 (CAS_364-98-7 | NSC_3019 | diazoxide) Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1| Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Calcium-activated potassium channel subunit beta (GUINEA PIG)	BDBM86248 (CAS_364-98-7 | NSC_3019 | diazoxide) Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1| Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									Mol Pharmacol 64: 143-53 (2003) Article DOI: 10.1124/mol.64.1.143 BindingDB Entry DOI: 10.7270/Q22B8WMJ
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Rattus norvegicus (Rat))	BDBM50386813 (CHEMBL2047726) Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r| Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...				Bioorg Med Chem 20: 4128-39 (2012) Article DOI: 10.1016/j.bmc.2012.04.057 BindingDB Entry DOI: 10.7270/Q2TQ62JK
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Rattus norvegicus (Rat))	BDBM50386813 (CHEMBL2047726) Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r| Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...				Bioorg Med Chem 20: 4128-39 (2012) Article DOI: 10.1016/j.bmc.2012.04.057 BindingDB Entry DOI: 10.7270/Q2TQ62JK
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Rattus norvegicus (Rat))	BDBM50438747 (CHEMBL2414787) Show SMILES CC(C)N[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H36F3N3O3S/c1-15(2)28-21(12-23(3,4)5)22(31)29-20-11-6-16-13-30(14-19(16)20)34(32,33)18-9-7-17(8-10-18)24(25,26)27/h7-10,15-16,19-21,28H,6,11-14H2,1-5H3,(H,29,31)/t16-,19+,20+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com Curated by ChEMBL					Assay Description Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under hyperpolarized condition by whole cell patch-clamp manual electrophysiology a...				Bioorg Med Chem Lett 23: 4857-61 (2013) Article DOI: 10.1016/j.bmcl.2013.06.074 BindingDB Entry DOI: 10.7270/Q2280915
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Rattus norvegicus (Rat))	BDBM50438746 (CHEMBL2414771) Show SMILES CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H30F3N3O/c1-13(2)10-19(25-3)20(28)26-18-9-4-14-11-27(12-17(14)18)16-7-5-15(6-8-16)21(22,23)24/h5-8,13-14,17-19,25H,4,9-12H2,1-3H3,(H,26,28)/t14-,17+,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com Curated by ChEMBL					Assay Description Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under depolarized condition by whole cell patch-clamp manual electrophysiology assa...				Bioorg Med Chem Lett 23: 4857-61 (2013) Article DOI: 10.1016/j.bmcl.2013.06.074 BindingDB Entry DOI: 10.7270/Q2280915
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Cav3.2 channel				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50095305 (CHEMBL1486348) Show SMILES CC1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C23H28N2O3S/c1-16-11-17(2)15-24(14-16)23(26)20-8-6-9-21(13-20)29(27,28)25-18(3)12-19-7-4-5-10-22(19)25/h4-10,13,16-18H,11-12,14-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Cav3.2 channel				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Rattus norvegicus (Rat))	BDBM50438746 (CHEMBL2414771) Show SMILES CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H30F3N3O/c1-13(2)10-19(25-3)20(28)26-18-9-4-14-11-27(12-17(14)18)16-7-5-15(6-8-16)21(22,23)24/h5-8,13-14,17-19,25H,4,9-12H2,1-3H3,(H,26,28)/t14-,17+,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com Curated by ChEMBL					Assay Description Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under hyperpolarized condition by whole cell patch-clamp manual electrophysiology a...				Bioorg Med Chem Lett 23: 4857-61 (2013) Article DOI: 10.1016/j.bmcl.2013.06.074 BindingDB Entry DOI: 10.7270/Q2280915
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50095306 (CHEMBL3589094) Show SMILES CC1Cc2ccccc2N1S(=O)(=O)c1cccc(c1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C23H28N2O3S/c1-17-14-19-10-5-6-13-22(19)25(17)29(27,28)21-12-7-11-20(15-21)23(26)24-16-18-8-3-2-4-9-18/h5-7,10-13,15,17-18H,2-4,8-9,14,16H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Cav3.2 channel				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Rattus norvegicus)	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of Cav3.2 channel in rat DRG neurons assessed as reduction in LVA currents				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of CYP3A4 (unknown origin)				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel (unknown origin)				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50095309 (CHEMBL3589557) Show SMILES Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20ClF2N3O3S/c21-15-11-17(23)19(30(28,29)24-18-6-2-1-5-16(18)22)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Rattus norvegicus (Rat))	BDBM50438747 (CHEMBL2414787) Show SMILES CC(C)N[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H36F3N3O3S/c1-15(2)28-21(12-23(3,4)5)22(31)29-20-11-6-16-13-30(14-19(16)20)34(32,33)18-9-7-17(8-10-18)24(25,26)27/h7-10,15-16,19-21,28H,6,11-14H2,1-5H3,(H,29,31)/t16-,19+,20+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com Curated by ChEMBL					Assay Description Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under depolarized condition by whole cell patch-clamp manual electrophysiology assa...				Bioorg Med Chem Lett 23: 4857-61 (2013) Article DOI: 10.1016/j.bmcl.2013.06.074 BindingDB Entry DOI: 10.7270/Q2280915
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50095307 (CHEMBL3589546) Show SMILES [H][C@]12CCCN1CCN(C2)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H22FN3O3S/c21-18-8-1-2-9-19(18)22-28(26,27)17-7-3-5-15(13-17)20(25)24-12-11-23-10-4-6-16(23)14-24/h1-3,5,7-9,13,16,22H,4,6,10-12,14H2/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Cav3.2 channel				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50095308 (CHEMBL3589554) Show SMILES [H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Nc1ccccc1F |r| Show InChI InChI=1S/C20H20Cl2FN3O3S/c21-15-11-16(22)19(30(28,29)24-18-6-2-1-5-17(18)23)10-14(15)20(27)26-9-8-25-7-3-4-13(25)12-26/h1-2,5-6,10-11,13,24H,3-4,7-9,12H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Cav3.2 channel				ACS Med Chem Lett 6: 641-4 (2015) Article DOI: 10.1021/acsmedchemlett.5b00023 BindingDB Entry DOI: 10.7270/Q27D2WW3
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11 (Homo sapiens (Human))	BDBM50207140 (CHEMBL131352) Show SMILES CCC(CC)(CCC#N)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26ClN7O/c1-3-23(4-2,12-6-13-25)21(30-20(32)17-8-10-18(24)11-9-17)31-22(28-16-26)29-19-7-5-14-27-15-19/h5,7-11,14-15,21H,3-4,6,12H2,1-2H3,(H,30,32)(H2,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B				Bioorg Med Chem Lett 14: 397-400 (2004) BindingDB Entry DOI: 10.7270/Q22V2J8T
					More data for this Ligand-Target Pair

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