Compile Data Set for Download or QSAR

Found 386 hits with Last Name = 'mcwherter' and Initial = 'm'   

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))	BDBM50440788 (CHEMBL2431249) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H32F2N6O3/c1-30(20-11-21(33)13-22(34)12-20)18-39(2)32(7-3-4-8-32)29(43)40(30)17-26(41)37-23-10-19-14-31(15-25(19)36-16-23)24-6-5-9-35-27(24)38-28(31)42/h5-6,9-13,16H,3-4,7-8,14-15,17-18H2,1-2H3,(H,37,41)(H,35,38,42)/t30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440782 (CHEMBL2431246) Show SMILES CN1C[C@](C)(N(CC#Cc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H31F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440784 (CHEMBL2431253) Show SMILES CN1C[C@](C)(N(C\C=C\c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5-8,11,13-16,19H,3-4,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/b7-6+/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50356282 (CHEMBL1910936) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31 |r| Show InChI InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440791 (CHEMBL2431256) Show SMILES CN1C[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N5O3/c1-29(2)28(40)37(24(15-36(29)3)18-9-20(31)12-21(32)10-18)16-25(38)34-22-7-6-17-13-30(14-19(17)11-22)23-5-4-8-33-26(23)35-27(30)39/h4-12,24H,13-16H2,1-3H3,(H,34,38)(H,33,35,39)/t24-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440793 (CHEMBL2431254) Show SMILES CC1(C)NC[C@H](N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H27F2N5O3/c1-28(2)27(39)36(23(14-33-28)17-8-19(30)11-20(31)9-17)15-24(37)34-21-6-5-16-12-29(13-18(16)10-21)22-4-3-7-32-25(22)35-26(29)38/h3-11,23,33H,12-15H2,1-2H3,(H,34,37)(H,32,35,38)/t23-,29+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444982 (CHEMBL3099918) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H30F2N4O2/c1-18(20-12-22(31)14-23(32)13-20)36(28(38)29(2,3)4)10-6-7-19-11-21-15-30(16-25(21)34-17-19)24-8-5-9-33-26(24)35-27(30)37/h5-9,11-14,17-18H,10,15-16H2,1-4H3,(H,33,35,37)/b7-6+/t18-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50385314 (CHEMBL2035981) Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440786 (CHEMBL2431251) Show SMILES CN1C[C@](C)(N(CCCc2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H35F2N5O2/c1-31(23-14-24(34)16-25(35)15-23)20-39(2)33(9-3-4-10-33)30(42)40(31)12-6-7-21-13-22-17-32(18-27(22)37-19-21)26-8-5-11-36-28(26)38-29(32)41/h5,8,11,13-16,19H,3-4,6-7,9-10,12,17-18,20H2,1-2H3,(H,36,38,41)/t31-,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440789 (CHEMBL2431248) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM103499 (US8552023, 11) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C1(CC1)C(F)(F)F)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H25F5N4O2/c1-17(19-11-21(31)13-22(32)12-19)39(27(41)29(6-7-29)30(33,34)35)9-3-4-18-10-20-14-28(15-24(20)37-16-18)23-5-2-8-36-25(23)38-26(28)40/h2-5,8,10-13,16-17H,6-7,9,14-15H2,1H3,(H,36,38,40)/b4-3+/t17-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444972 (CHEMBL3099931) Show SMILES CC(C)(C)C(=O)N(CC#Cc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C31H30N4O2/c1-30(2,3)29(37)35(26-13-12-21-9-4-5-10-23(21)26)15-7-8-20-16-22-17-31(18-25(22)33-19-20)24-11-6-14-32-27(24)34-28(31)36/h4-6,9-11,14,16,19,26H,12-13,15,17-18H2,1-3H3,(H,32,34,36)/t26-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440790 (CHEMBL2431247) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C1(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444980 (CHEMBL3099920) Show SMILES CC(C)(C)C(=O)N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C31H32N4O2/c1-30(2,3)29(37)35(26-13-12-21-9-4-5-10-23(21)26)15-7-8-20-16-22-17-31(18-25(22)33-19-20)24-11-6-14-32-27(24)34-28(31)36/h4-11,14,16,19,26H,12-13,15,17-18H2,1-3H3,(H,32,34,36)/b8-7+/t26-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444984 (CHEMBL3099916) Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C1CCOCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H31F2N3O3/c1-20(24-15-26(33)17-27(34)16-24)37(30(38)22-8-12-40-13-9-22)11-3-4-21-6-7-23-18-32(19-25(23)14-21)28-5-2-10-35-29(28)36-31(32)39/h2-7,10,14-17,20,22H,8-9,11-13,18-19H2,1H3,(H,35,36,39)/b4-3+/t20-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440785 (CHEMBL2431252) Show SMILES CN1C[C@](C)(N(C\C=C\c2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H34F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/b7-6+/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440783 (CHEMBL2429882) Show SMILES CN1C[C@](C)(N(CC#Cc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H32F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440792 (CHEMBL2431255) Show SMILES CC1(C)NC[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N5O3/c1-28(2)27(40)37(29(3,16-34-28)19-10-20(31)12-21(32)11-19)15-24(38)35-22-7-6-17-13-30(14-18(17)9-22)23-5-4-8-33-25(23)36-26(30)39/h4-12,34H,13-16H2,1-3H3,(H,35,38)(H,33,36,39)/t29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444971 (CHEMBL3099932) Show SMILES C[C@@H](N(CC#Cc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C30H30N4O2/c1-20(22-11-6-5-7-12-22)34(28(36)29(2,3)4)15-9-10-21-16-23-17-30(18-25(23)32-19-21)24-13-8-14-31-26(24)33-27(30)35/h5-8,11-14,16,19-20H,15,17-18H2,1-4H3,(H,31,33,35)/t20-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM103501 (US8552023, 13) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccc(C)c(F)c1 |r| Show InChI InChI=1S/C31H33FN4O2/c1-19-10-11-22(15-25(19)32)20(2)36(29(38)30(3,4)5)13-7-8-21-14-23-16-31(17-26(23)34-18-21)24-9-6-12-33-27(24)35-28(31)37/h6-12,14-15,18,20H,13,16-17H2,1-5H3,(H,33,35,37)/b8-7+/t20-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444976 (CHEMBL3099926) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1sccc1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H26F2N4O2S/c1-18-7-10-40-27(18)29(38)37(19(2)21-12-23(32)14-24(33)13-21)9-4-5-20-11-22-15-31(16-26(22)35-17-20)25-6-3-8-34-28(25)36-30(31)39/h3-8,10-14,17,19H,9,15-16H2,1-2H3,(H,34,36,39)/b5-4+/t19-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444975 (CHEMBL3099927) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1nccn1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H26F2N6O2/c1-18(20-12-22(31)14-23(32)13-20)38(28(39)27-34-8-10-37(27)2)9-4-5-19-11-21-15-30(16-25(21)35-17-19)24-6-3-7-33-26(24)36-29(30)40/h3-8,10-14,17-18H,9,15-16H2,1-2H3,(H,33,36,40)/b5-4+/t18-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444987 (CHEMBL3099939) Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H31F2N3O2/c1-19(22-14-24(32)16-25(33)15-22)36(29(38)30(2,3)4)12-6-7-20-9-10-21-17-31(18-23(21)13-20)26-8-5-11-34-27(26)35-28(31)37/h5-11,13-16,19H,12,17-18H2,1-4H3,(H,34,35,37)/b7-6+/t19-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444974 (CHEMBL3099929) Show SMILES CC(C)(C)C(=O)N(CC#Cc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C32H31N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-6,9-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/t27-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444986 (CHEMBL3099914) Show SMILES CC(C)(C)C(=O)N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C32H33N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-13,16,18,27H,14-15,17,19-20H2,1-3H3,(H,33,34,36)/b8-7+/t27-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444981 (CHEMBL3099919) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C30H32N4O2/c1-20(22-11-6-5-7-12-22)34(28(36)29(2,3)4)15-9-10-21-16-23-17-30(18-25(23)32-19-21)24-13-8-14-31-26(24)33-27(30)35/h5-14,16,19-20H,15,17-18H2,1-4H3,(H,31,33,35)/b10-9+/t20-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444968 (CHEMBL3099935) Show SMILES C[C@@H](N(CCCc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H32F2N4O2/c1-18(20-12-22(31)14-23(32)13-20)36(28(38)29(2,3)4)10-6-7-19-11-21-15-30(16-25(21)34-17-19)24-8-5-9-33-26(24)35-27(30)37/h5,8-9,11-14,17-18H,6-7,10,15-16H2,1-4H3,(H,33,35,37)/t18-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444977 (CHEMBL3099924) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C30H31ClN4O2/c1-19(21-9-11-23(31)12-10-21)35(28(37)29(2,3)4)14-6-7-20-15-22-16-30(17-25(22)33-18-20)24-8-5-13-32-26(24)34-27(30)36/h5-13,15,18-19H,14,16-17H2,1-4H3,(H,32,34,36)/b7-6+/t19-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444988 (CHEMBL3099913) Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O2/c1-21(23-11-6-5-7-12-23)34(29(36)30(2,3)4)17-9-10-22-14-15-24-19-31(20-25(24)18-22)26-13-8-16-32-27(26)33-28(31)35/h5-16,18,21H,17,19-20H2,1-4H3,(H,32,33,35)/b10-9+/t21-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia 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
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM103497 (US8552023, 29) Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1cc(C)nn1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H29F2N5O2/c1-19-12-28(38(3)37-19)30(40)39(20(2)23-14-25(33)16-26(34)15-23)11-5-6-21-8-9-22-17-32(18-24(22)13-21)27-7-4-10-35-29(27)36-31(32)41/h4-10,12-16,20H,11,17-18H2,1-3H3,(H,35,36,41)/b6-5+/t20-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440787 (CHEMBL2431250) Show SMILES CN1C[C@](C)(N(CCCc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C34H36F2N4O2/c1-32(25-16-26(35)18-27(36)17-25)21-39(2)34(11-3-4-12-34)31(42)40(32)14-6-7-22-9-10-23-19-33(20-24(23)15-22)28-8-5-13-37-29(28)38-30(33)41/h5,8-10,13,15-18H,3-4,6-7,11-12,14,19-21H2,1-2H3,(H,37,38,41)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444967 (CHEMBL3099936) Show SMILES CC(C)(C)C(=O)N(CCCc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C31H34N4O2/c1-30(2,3)29(37)35(26-13-12-21-9-4-5-10-23(21)26)15-7-8-20-16-22-17-31(18-25(22)33-19-20)24-11-6-14-32-27(24)34-28(31)36/h4-6,9-11,14,16,19,26H,7-8,12-13,15,17-18H2,1-3H3,(H,32,34,36)/t26-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224431 (CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444973 (CHEMBL3099930) Show SMILES C[C@@H](N(CC#Cc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C31H31N3O2/c1-21(23-11-6-5-7-12-23)34(29(36)30(2,3)4)17-9-10-22-14-15-24-19-31(20-25(24)18-22)26-13-8-16-32-27(26)33-28(31)35/h5-8,11-16,18,21H,17,19-20H2,1-4H3,(H,32,33,35)/t21-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444978 (CHEMBL3099922) Show SMILES CC(C)(C)C(=O)N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C1CCCCCC1 |r| Show InChI InChI=1S/C29H36N4O2/c1-28(2,3)27(35)33(22-11-6-4-5-7-12-22)15-9-10-20-16-21-17-29(18-24(21)31-19-20)23-13-8-14-30-25(23)32-26(29)34/h8-10,13-14,16,19,22H,4-7,11-12,15,17-18H2,1-3H3,(H,30,32,34)/b10-9+/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444979 (CHEMBL3099921) Show SMILES CC(C)(C)C(=O)N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)Cc1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C29H28F2N4O2/c1-28(2,3)27(37)35(17-19-11-21(30)13-22(31)12-19)9-5-6-18-10-20-14-29(15-24(20)33-16-18)23-7-4-8-32-25(23)34-26(29)36/h4-8,10-13,16H,9,14-15,17H2,1-3H3,(H,32,34,36)/b6-5+/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444985 (CHEMBL3099915) Show SMILES CC(C)C(=O)N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@H](C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C30H29F2N3O2/c1-18(2)28(36)35(19(3)22-13-24(31)15-25(32)14-22)11-5-6-20-8-9-21-16-30(17-23(21)12-20)26-7-4-10-33-27(26)34-29(30)37/h4-10,12-15,18-19H,11,16-17H2,1-3H3,(H,33,34,37)/b6-5+/t19-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444966 (CHEMBL3099937) Show SMILES C[C@@H](N(CCCc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C30H34N4O2/c1-20(22-11-6-5-7-12-22)34(28(36)29(2,3)4)15-9-10-21-16-23-17-30(18-25(23)32-19-21)24-13-8-14-31-26(24)33-27(30)35/h5-8,11-14,16,19-20H,9-10,15,17-18H2,1-4H3,(H,31,33,35)/t20-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444970 (CHEMBL3099933) Show SMILES CC(C)(C)C(=O)N(CCCc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)[C@@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C32H35N3O2/c1-31(2,3)30(37)35(27-15-14-22-9-4-5-10-25(22)27)17-7-8-21-12-13-23-19-32(20-24(23)18-21)26-11-6-16-33-28(26)34-29(32)36/h4-6,9-13,16,18,27H,7-8,14-15,17,19-20H2,1-3H3,(H,33,34,36)/t27-,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM103498 (US8552023, 30) Show SMILES C[C@@H](N(C\C=C\c1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)c1c(C)noc1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H27F2N5O3/c1-17-27(19(3)41-37-17)29(39)38(18(2)21-11-23(32)13-24(33)12-21)9-5-6-20-10-22-14-31(15-26(22)35-16-20)25-7-4-8-34-28(25)36-30(31)40/h4-8,10-13,16,18H,9,14-15H2,1-3H3,(H,34,36,40)/b6-5+/t18-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444983 (CHEMBL3098148) Show SMILES C[C@@H](N(C\C=C\c1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)[C@@H]1CCCN1C)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H32F2N4O2/c1-20(23-15-25(33)17-26(34)16-23)38(30(39)28-8-5-12-37(28)2)13-4-6-21-9-10-22-18-32(19-24(22)14-21)27-7-3-11-35-29(27)36-31(32)40/h3-4,6-7,9-11,14-17,20,28H,5,8,12-13,18-19H2,1-2H3,(H,35,36,40)/b6-4+/t20-,28+,32-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50444969 (CHEMBL3099934) Show SMILES C[C@@H](N(CCCc1ccc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)C(=O)C(C)(C)C)c1ccccc1 |r| Show InChI InChI=1S/C31H35N3O2/c1-21(23-11-6-5-7-12-23)34(29(36)30(2,3)4)17-9-10-22-14-15-24-19-31(20-25(24)18-22)26-13-8-16-32-27(26)33-28(31)35/h5-8,11-16,18,21H,9-10,17,19-20H2,1-4H3,(H,32,33,35)/t21-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]-hCGRP from human CALCRL/RAMP1 expressed in HEK293 cell membranes				Bioorg Med Chem Lett 24: 258-61 (2013) Article DOI: 10.1016/j.bmcl.2013.11.027 BindingDB Entry DOI: 10.7270/Q2DB8393
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356152 (2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(5-oxo-2-...) Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3C(=O)NCCc3nc2-c2ccccc2)c(F)cc1C(F)(F)F Show InChI InChI=1S/C26H19F4N5O2/c1-35-10-8-21(34-35)15-11-16(19(27)13-18(15)26(28,29)30)25(37)33-22-12-17-20(7-9-31-24(17)36)32-23(22)14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,31,36)(H,33,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356096 (N-(2-((2,5-dioxoimidazolidin-1- yl)methyl)-4-pheny...) Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)CNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F Show InChI InChI=1S/C26H19F4N7O3/c1-36-8-7-19(35-36)15-9-16(18(27)10-17(15)26(28,29)30)24(39)33-20-11-31-21(13-37-22(38)12-32-25(37)40)34-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,40)(H,33,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0830	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50440789 (CHEMBL2431248) Show SMILES CN1C[C@](C)(N(CC(=O)Nc2ccc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)C11CCCC1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0970	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Labortories Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor (unknown origin) by cell based cAMP assay				ACS Med Chem Lett 4: 863-8 (2013) Article DOI: 10.1021/ml400199p BindingDB Entry DOI: 10.7270/Q25D8T8V
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356095 (US9815846, Compound 95) Show SMILES CN1CC(=O)N(Cc2ncc(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)c(n2)-c2ccccc2)C1=O Show InChI InChI=1S/C27H21F4N7O3/c1-36-14-23(39)38(26(36)41)13-22-32-12-21(24(34-22)15-6-4-3-5-7-15)33-25(40)17-10-16(20-8-9-37(2)35-20)18(11-19(17)28)27(29,30)31/h3-12H,13-14H2,1-2H3,(H,33,40)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356218 (US9815846, Compound 218) Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCOC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F Show InChI InChI=1S/C26H20F4N6O3/c1-35-8-7-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)24(37)32-21-13-31-22(14-36-9-10-39-25(36)38)33-23(21)15-5-3-2-4-6-15/h2-8,11-13H,9-10,14H2,1H3,(H,32,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356058 (2-fluoro-N-(6-((2- methoxyacetamido)methyl)-2- phe...) Show SMILES COCC(=O)NCc1ccc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1 Show InChI InChI=1S/C27H23F4N5O3/c1-36-11-10-22(35-36)18-12-19(21(28)13-20(18)27(29,30)31)26(38)34-23-9-8-17(14-32-24(37)15-39-2)33-25(23)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,32,37)(H,34,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356196 (US9815846, Compound 196) Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(nc2-c2ccccc2)C2COC(=O)N2)c(F)cc1C(F)(F)F Show InChI InChI=1S/C26H19F4N5O3/c1-35-10-9-19(34-35)15-11-16(18(27)12-17(15)26(28,29)30)24(36)32-21-8-7-20(22-13-38-25(37)33-22)31-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,32,36)(H,33,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM356098 (N-(6-((2,5-dioxoimidazolidin-1- yl)methyl)-2-pheny...) Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F Show InChI InChI=1S/C27H20F4N6O3/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(14-37-23(38)13-32-26(37)40)33-24(22)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,32,40)(H,34,39)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...				US Patent US9815846 (2017) BindingDB Entry DOI: 10.7270/Q20P129R
					More data for this Ligand-Target Pair

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