Compile Data Set for Download or QSAR

Found 19515 hits with Last Name = 'brand' and Initial = 'j'   

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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415362 (CHEMBL601857) Show SMILES Cc1ncc(-c2cc(Cl)cc(c2)-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)n1C Show InChI InChI=1S/C26H25ClN8O3/c1-15-29-14-21(33(15)2)16-10-17(12-18(27)11-16)25-32-31-22(38-25)13-23(36)34-8-5-19(6-9-34)35-20-4-3-7-28-24(20)30-26(35)37/h3-4,7,10-12,14,19H,5-6,8-9,13H2,1-2H3,(H,28,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415365 (CHEMBL609757) Show SMILES Cc1ccc(cn1)-c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H24ClN7O3/c1-16-4-5-17(15-30-16)18-11-19(13-20(28)12-18)26-33-32-23(38-26)14-24(36)34-9-6-21(7-10-34)35-22-3-2-8-29-25(22)31-27(35)37/h2-5,8,11-13,15,21H,6-7,9-10,14H2,1H3,(H,29,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415354 (CHEMBL600836) Show SMILES Clc1cc(cc(c1)-c1ccccc1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H23ClN6O3/c28-20-14-18(17-5-2-1-3-6-17)13-19(15-20)26-32-31-23(37-26)16-24(35)33-11-8-21(9-12-33)34-22-7-4-10-29-25(22)30-27(34)36/h1-7,10,13-15,21H,8-9,11-12,16H2,(H,29,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415360 (CHEMBL610062) Show SMILES CCN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H32ClN7O3/c1-2-34-10-5-18(6-11-34)19-14-20(16-21(29)15-19)27-33-32-24(39-27)17-25(37)35-12-7-22(8-13-35)36-23-4-3-9-30-26(23)31-28(36)38/h3-4,9,14-16,18,22H,2,5-8,10-13,17H2,1H3,(H,30,31,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415352 (CHEMBL600636) Show SMILES FC(F)(F)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C22H18ClF3N6O3/c23-14-9-12(8-13(10-14)22(24,25)26)20-30-29-17(35-20)11-18(33)31-6-3-15(4-7-31)32-16-2-1-5-27-19(16)28-21(32)34/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,27,28,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415361 (CHEMBL592649) Show SMILES FC(F)CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H30ClF2N7O3/c29-20-13-18(17-3-8-36(9-4-17)16-23(30)31)12-19(14-20)27-35-34-24(41-27)15-25(39)37-10-5-21(6-11-37)38-22-2-1-7-32-26(22)33-28(38)40/h1-2,7,12-14,17,21,23H,3-6,8-11,15-16H2,(H,32,33,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415359 (CHEMBL601854) Show SMILES CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H30ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-3,8,13-15,17,21H,4-7,9-12,16H2,1H3,(H,29,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415363 (CHEMBL605579) Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C25H28ClN7O4/c1-31(2)10-11-36-19-13-16(12-17(26)14-19)24-30-29-21(37-24)15-22(34)32-8-5-18(6-9-32)33-20-4-3-7-27-23(20)28-25(33)35/h3-4,7,12-14,18H,5-6,8-11,15H2,1-2H3,(H,27,28,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415358 (CHEMBL601639) Show SMILES CN1CCN(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415356 (CHEMBL609472) Show SMILES Cc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1 Show InChI InChI=1S/C26H29N7O4/c1-17-13-18(15-20(14-17)31-9-11-36-12-10-31)25-30-29-22(37-25)16-23(34)32-7-4-19(5-8-32)33-21-3-2-6-27-24(21)28-26(33)35/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,27,28,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415355 (CHEMBL600837) Show SMILES Clc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1 Show InChI InChI=1S/C25H26ClN7O4/c26-17-12-16(13-19(14-17)31-8-10-36-11-9-31)24-30-29-21(37-24)15-22(34)32-6-3-18(4-7-32)33-20-2-1-5-27-23(20)28-25(33)35/h1-2,5,12-14,18H,3-4,6-11,15H2,(H,27,28,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415353 (CHEMBL604949) Show SMILES COc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C22H21ClN6O4/c1-32-16-10-13(9-14(23)11-16)21-27-26-18(33-21)12-19(30)28-7-4-15(5-8-28)29-17-3-2-6-24-20(17)25-22(29)31/h2-3,6,9-11,15H,4-5,7-8,12H2,1H3,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415351 (CHEMBL601246) Show SMILES Clc1cc(Br)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18BrClN6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415364 (CHEMBL602475) Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1 Show InChI InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415364 (CHEMBL602475) Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1 Show InChI InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415360 (CHEMBL610062) Show SMILES CCN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H32ClN7O3/c1-2-34-10-5-18(6-11-34)19-14-20(16-21(29)15-19)27-33-32-24(39-27)17-25(37)35-12-7-22(8-13-35)36-23-4-3-9-30-26(23)31-28(36)38/h3-4,9,14-16,18,22H,2,5-8,10-13,17H2,1H3,(H,30,31,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415346 (CHEMBL602085) Show SMILES Clc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415359 (CHEMBL601854) Show SMILES CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H30ClN7O3/c1-33-9-4-17(5-10-33)18-13-19(15-20(28)14-18)26-32-31-23(38-26)16-24(36)34-11-6-21(7-12-34)35-22-3-2-8-29-25(22)30-27(35)37/h2-3,8,13-15,17,21H,4-7,9-12,16H2,1H3,(H,29,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415366 (CHEMBL601455) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C23H18F6N6O3/c24-22(25,26)13-8-12(9-14(10-13)23(27,28)29)20-33-32-17(38-20)11-18(36)34-6-3-15(4-7-34)35-16-2-1-5-30-19(16)31-21(35)37/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,30,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415350 (CHEMBL601034) Show SMILES Fc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18ClFN6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415348 (CHEMBL602086) Show SMILES Cc1cc(C)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C23H24N6O3/c1-14-10-15(2)12-16(11-14)22-27-26-19(32-22)13-20(30)28-8-5-17(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415358 (CHEMBL601639) Show SMILES CN1CCN(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepacivirus C)	BDBM50495950 (Danoprevir | R-05190591 | R05190591 | RO-5190591 |...) Show SMILES [H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)OC(C)(C)C)OC(=O)N1Cc2cccc(F)c2C1)C(=O)NS(=O)(=O)C1CC1 |c:23| Show InChI InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of Hepatitis C virus genotype 1a NS3/4A protease A156T mutant expressed in Escherichia coli BL21 (DE3) cells assessed as substrate cleavag...				J Med Chem 57: 1753-69 (2014) Article DOI: 10.1021/jm400164c BindingDB Entry DOI: 10.7270/Q2T72MD2
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415363 (CHEMBL605579) Show SMILES CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C25H28ClN7O4/c1-31(2)10-11-36-19-13-16(12-17(26)14-19)24-30-29-21(37-24)15-22(34)32-8-5-18(6-9-32)33-20-4-3-7-27-23(20)28-25(33)35/h3-4,7,12-14,18H,5-6,8-11,15H2,1-2H3,(H,27,28,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415349 (CHEMBL601033) Show SMILES COc1cc(OC)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C23H24N6O5/c1-32-16-10-14(11-17(12-16)33-2)22-27-26-19(34-22)13-20(30)28-8-5-15(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,15H,5-6,8-9,13H2,1-2H3,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415361 (CHEMBL592649) Show SMILES FC(F)CN1CCC(CC1)c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C28H30ClF2N7O3/c29-20-13-18(17-3-8-36(9-4-17)16-23(30)31)12-19(14-20)27-35-34-24(41-27)15-25(39)37-10-5-21(6-11-37)38-22-2-1-7-32-26(22)33-28(38)40/h1-2,7,12-14,17,21,23H,3-6,8-11,15-16H2,(H,32,33,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415362 (CHEMBL601857) Show SMILES Cc1ncc(-c2cc(Cl)cc(c2)-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)n1C Show InChI InChI=1S/C26H25ClN8O3/c1-15-29-14-21(33(15)2)16-10-17(12-18(27)11-16)25-32-31-22(38-25)13-23(36)34-8-5-19(6-9-34)35-20-4-3-7-28-24(20)30-26(35)37/h3-4,7,10-12,14,19H,5-6,8-9,13H2,1-2H3,(H,28,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415355 (CHEMBL600837) Show SMILES Clc1cc(cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1)N1CCOCC1 Show InChI InChI=1S/C25H26ClN7O4/c26-17-12-16(13-19(14-17)31-8-10-36-11-9-31)24-30-29-21(37-24)15-22(34)32-6-3-18(4-7-32)33-20-2-1-5-27-23(20)28-25(33)35/h1-2,5,12-14,18H,3-4,6-11,15H2,(H,27,28,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415343 (CHEMBL600010) Show SMILES Clc1ccc(Cl)c(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-12-3-4-15(23)14(10-12)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415347 (CHEMBL604955) Show SMILES Fc1cc(F)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18F2N6O3/c22-13-8-12(9-14(23)10-13)20-27-26-17(32-20)11-18(30)28-6-3-15(4-7-28)29-16-2-1-5-24-19(16)25-21(29)31/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415365 (CHEMBL609757) Show SMILES Cc1ccc(cn1)-c1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C27H24ClN7O3/c1-16-4-5-17(15-30-16)18-11-19(13-20(28)12-18)26-33-32-23(38-26)14-24(36)34-9-6-21(7-10-34)35-22-3-2-8-29-25(22)31-27(35)37/h2-5,8,11-13,15,21H,6-7,9-10,14H2,1H3,(H,29,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415342 (CHEMBL603098) Show SMILES Clc1cccc(-c2nnc(CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)o2)c1Cl Show InChI InChI=1S/C21H18Cl2N6O3/c22-14-4-1-3-13(18(14)23)20-27-26-16(32-20)11-17(30)28-9-6-12(7-10-28)29-15-5-2-8-24-19(15)25-21(29)31/h1-5,8,12H,6-7,9-11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415357 (CHEMBL592406) Show SMILES O=C(Cc1nnc(o1)-c1cc(cc(c1)-c1ccccc1)N1CCOCC1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C31H31N7O4/c39-28(37-11-8-24(9-12-37)38-26-7-4-10-32-29(26)33-31(38)40)20-27-34-35-30(42-27)23-17-22(21-5-2-1-3-6-21)18-25(19-23)36-13-15-41-16-14-36/h1-7,10,17-19,24H,8-9,11-16,20H2,(H,32,33,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415338 (CHEMBL604539) Show SMILES O=C(Cc1nnc(o1)-c1ccccc1)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C21H20N6O3/c28-18(13-17-24-25-20(30-17)14-5-2-1-3-6-14)26-11-8-15(9-12-26)27-16-7-4-10-22-19(16)23-21(27)29/h1-7,10,15H,8-9,11-13H2,(H,22,23,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50345548 (CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | ...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](-[#8])=O)-[#6](-[#6])-[#6] |r| Show InChI InChI=1S/C47H72N12O15S2/c1-5-24(4)37-44(71)56-32(46(73)74)22-76-75-21-27(48)38(65)52-28(8-6-18-51-47(49)50)39(66)55-31(20-25-10-12-26(60)13-11-25)45(72)59-19-7-9-33(59)42(69)53-29(14-16-34(61)62)40(67)57-36(23(2)3)43(70)54-30(41(68)58-37)15-17-35(63)64/h10-13,23-24,27-33,36-37,60H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Western Ontario Curated by ChEMBL					Assay Description Competitive inhibition of human GST-tagged-Pin1 PPIase activity using WFYpSPR-pNA as substrate by Michaelis-Menton equation				J Med Chem 54: 3854-65 (2011) Article DOI: 10.1021/jm200156c BindingDB Entry DOI: 10.7270/Q2DN45DV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415345 (CHEMBL602492) Show SMILES Clc1ccc(cc1Cl)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-14-4-3-12(10-15(14)23)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415340 (CHEMBL600620) Show SMILES Clc1cccc(c1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H19ClN6O3/c22-14-4-1-3-13(11-14)20-26-25-17(31-20)12-18(29)27-9-6-15(7-10-27)28-16-5-2-8-23-19(16)24-21(28)30/h1-5,8,11,15H,6-7,9-10,12H2,(H,23,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250610 (CHEMBL4076072) Show SMILES OP(O)(=O)C(c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H22Cl3FNO6PS/c25-20-14-22(27)21(26)13-18(20)12-17-2-1-3-19(23(17)28)15-4-6-16(7-5-15)24(36(30,31)32)37(33,34)29-8-10-35-11-9-29/h1-7,13-14,24H,8-12H2,(H2,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415339 (CHEMBL601657) Show SMILES Clc1ccccc1-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H19ClN6O3/c22-15-5-2-1-4-14(15)20-26-25-17(31-20)12-18(29)27-10-7-13(8-11-27)28-16-6-3-9-23-19(16)24-21(28)30/h1-6,9,13H,7-8,10-12H2,(H,23,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50345548 (CHEMBL1784538 | [13C,15N-Y,P,V]cyclic CRYPEVEIC | ...) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](-[#8])=O)-[#6](-[#6])-[#6] |r| Show InChI InChI=1S/C47H72N12O15S2/c1-5-24(4)37-44(71)56-32(46(73)74)22-76-75-21-27(48)38(65)52-28(8-6-18-51-47(49)50)39(66)55-31(20-25-10-12-26(60)13-11-25)45(72)59-19-7-9-33(59)42(69)53-29(14-16-34(61)62)40(67)57-36(23(2)3)43(70)54-30(41(68)58-37)15-17-35(63)64/h10-13,23-24,27-33,36-37,60H,5-9,14-22,48H2,1-4H3,(H,52,65)(H,53,69)(H,54,70)(H,55,66)(H,56,71)(H,57,67)(H,58,68)(H,61,62)(H,63,64)(H,73,74)(H4,49,50,51)/t24-,27-,28-,29-,30-,31-,32-,33-,36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Western Ontario Curated by ChEMBL					Assay Description Inhibition of human GST-tagged-Pin1 PPIase activity using Suc-AEPF-pNA as substrate by Michaelis-Menton equation				J Med Chem 54: 3854-65 (2011) Article DOI: 10.1021/jm200156c BindingDB Entry DOI: 10.7270/Q2DN45DV
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250608 (CHEMBL4092589) Show SMILES OP(O)(=O)C(F)(C(=O)c1ccccc1)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F Show InChI InChI=1S/C27H18Cl3F2O4P/c28-22-15-24(30)23(29)14-19(22)13-18-7-4-8-21(25(18)31)16-9-11-20(12-10-16)27(32,37(34,35)36)26(33)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H2,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415344 (CHEMBL600011) Show SMILES Clc1cccc(Cl)c1-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H18Cl2N6O3/c22-13-3-1-4-14(23)18(13)20-27-26-16(32-20)11-17(30)28-9-6-12(7-10-28)29-15-5-2-8-24-19(15)25-21(29)31/h1-5,8,12H,6-7,9-11H2,(H,24,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415341 (CHEMBL600820) Show SMILES Clc1ccc(cc1)-c1nnc(CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)o1 Show InChI InChI=1S/C21H19ClN6O3/c22-14-5-3-13(4-6-14)20-26-25-17(31-20)12-18(29)27-10-7-15(8-11-27)28-16-2-1-9-23-19(16)24-21(28)30/h1-6,9,15H,7-8,10-12H2,(H,23,24,30)	PDB UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250601 (CHEMBL4070970) Show SMILES OP(O)(=O)C(F)(C(=O)C1CCCCC1)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F Show InChI InChI=1S/C27H24Cl3F2O4P/c28-22-15-24(30)23(29)14-19(22)13-18-7-4-8-21(25(18)31)16-9-11-20(12-10-16)27(32,37(34,35)36)26(33)17-5-2-1-3-6-17/h4,7-12,14-15,17H,1-3,5-6,13H2,(H2,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250600 (CHEMBL4103050) Show SMILES OP(O)(=O)C(F)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F Show InChI InChI=1S/C20H14Cl3F2O3P/c21-16-10-18(23)17(22)9-14(16)8-13-2-1-3-15(19(13)24)11-4-6-12(7-5-11)20(25)29(26,27)28/h1-7,9-10,20H,8H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (Homo sapiens (Human))	BDBM50250606 (CHEMBL4077342) Show SMILES OP(O)(=O)C(F)(c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H21Cl3F2NO6PS/c25-20-14-22(27)21(26)13-17(20)12-16-2-1-3-19(23(16)28)15-4-6-18(7-5-15)24(29,37(31,32)33)38(34,35)30-8-10-36-11-9-30/h1-7,13-14H,8-12H2,(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of LAR (unknown origin) using pNPP as substrate preincubated for 5 mins followed by substrate addition measured for 20 mins by spectrophot...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250603 (CHEMBL4102693) Show SMILES OP(O)(=O)C(C(=O)N1CCOCC1)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F Show InChI InChI=1S/C25H22Cl3FNO5P/c26-20-14-22(28)21(27)13-18(20)12-17-2-1-3-19(23(17)29)15-4-6-16(7-5-15)24(36(32,33)34)25(31)30-8-10-35-11-9-30/h1-7,13-14,24H,8-12H2,(H2,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250607 (CHEMBL4069436) Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F Show InChI InChI=1S/C20H13Cl3F3O3P/c21-16-10-18(23)17(22)9-13(16)8-12-2-1-3-15(19(12)24)11-4-6-14(7-5-11)20(25,26)30(27,28)29/h1-7,9-10H,8H2,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50250604 (CHEMBL4084768) Show SMILES CN(C)C(=O)C(c1ccc(cc1)-c1cccc(Cc2cc(Cl)c(Cl)cc2Cl)c1F)P(O)(O)=O Show InChI InChI=1S/C23H20Cl3FNO4P/c1-28(2)23(29)22(33(30,31)32)14-8-6-13(7-9-14)17-5-3-4-15(21(17)27)10-16-11-19(25)20(26)12-18(16)24/h3-9,11-12,22H,10H2,1-2H3,(H2,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to 6His-tagged STEP phosphatase domain (258 to 539 residues) (unknown origin) expressed in Escherichia coli BL21 Gold (DE3) after 90...				J Med Chem 60: 9299-9319 (2017) Article DOI: 10.1021/acs.jmedchem.7b01292 BindingDB Entry DOI: 10.7270/Q2NZ8B27
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50415337 (CHEMBL602075) Show SMILES COc1ccc(cc1CC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C26H26N4O3/c1-33-23-10-9-19(18-6-3-2-4-7-18)16-20(23)17-24(31)29-14-11-21(12-15-29)30-22-8-5-13-27-25(22)28-26(30)32/h2-10,13,16,21H,11-12,14-15,17H2,1H3,(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CGRP receptor expressed in HEK293 cells assessed as inhibition of CGRP-stimulated increase of intracellular ...				Bioorg Med Chem Lett 20: 1368-72 (2010) Article DOI: 10.1016/j.bmcl.2010.01.012 BindingDB Entry DOI: 10.7270/Q23T9JG4
					More data for this Ligand-Target Pair

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