Compile Data Set for Download or QSAR

Found 24850 hits with Last Name = 'cook' and Initial = 'a'   

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))	BDBM50430060 (CHEMBL2336421) Show SMILES CCc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 Show InChI InChI=1S/C36H48N8O3/c1-2-26-20-25(21-28-23-37-40-33(26)28)22-32(34(45)42-16-10-29(11-17-42)41-14-6-3-7-15-41)39-35(46)43-18-12-30(13-19-43)44-24-27-8-4-5-9-31(27)38-36(44)47/h4-5,8-9,20-21,23,29-30,32H,2-3,6-7,10-19,22,24H2,1H3,(H,37,40)(H,38,47)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50273292 ((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-i...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50273292 ((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-i...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from human CGRP receptor in SK-N-MC cells				J Med Chem 51: 4858-61 (2008) Article DOI: 10.1021/jm800546t BindingDB Entry DOI: 10.7270/Q2N016BV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430061 (CHEMBL2336422) Show SMILES Clc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 Show InChI InChI=1S/C34H43ClN8O3/c35-28-19-23(18-25-21-36-39-31(25)28)20-30(32(44)41-14-8-26(9-15-41)40-12-4-1-5-13-40)38-33(45)42-16-10-27(11-17-42)43-22-24-6-2-3-7-29(24)37-34(43)46/h2-3,6-7,18-19,21,26-27,30H,1,4-5,8-17,20,22H2,(H,36,39)(H,37,46)(H,38,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50273292 ((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-i...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H46N8O3/c1-24-19-25(20-27-22-36-39-32(24)27)21-31(33(44)41-15-9-28(10-16-41)40-13-5-2-6-14-40)38-34(45)42-17-11-29(12-18-42)43-23-26-7-3-4-8-30(26)37-35(43)46/h3-4,7-8,19-20,22,28-29,31H,2,5-6,9-18,21,23H2,1H3,(H,36,39)(H,37,46)(H,38,45)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268484 ((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from human CGRP receptor in SK-N-MC cells				J Med Chem 51: 4858-61 (2008) Article DOI: 10.1021/jm800546t BindingDB Entry DOI: 10.7270/Q2N016BV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50268484 ((R)-4-(8-Fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-...) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C35H45FN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430062 (CHEMBL2336411) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2[nH]nnc12 |r| Show InChI InChI=1S/C34H45N9O3/c1-23-19-24(20-29-31(23)38-39-37-29)21-30(32(44)41-15-9-26(10-16-41)40-13-5-2-6-14-40)36-33(45)42-17-11-27(12-18-42)43-22-25-7-3-4-8-28(25)35-34(43)46/h3-4,7-8,19-20,26-27,30H,2,5-6,9-18,21-22H2,1H3,(H,35,46)(H,36,45)(H,37,38,39)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50448785 (CHEMBL3128069) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay				J Med Chem 57: 1170-87 (2014) Article DOI: 10.1021/jm401805h BindingDB Entry DOI: 10.7270/Q29C6ZX5
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430066 (CHEMBL2336416) Show SMILES Brc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r| Show InChI InChI=1S/C34H42BrN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430058 (CHEMBL2336418) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c2cn[nH]c12 |r| Show InChI InChI=1S/C35H45ClN8O3/c1-23-19-25(31(36)28-21-37-40-32(23)28)20-30(33(45)42-15-9-26(10-16-42)41-13-5-2-6-14-41)39-34(46)43-17-11-27(12-18-43)44-22-24-7-3-4-8-29(24)38-35(44)47/h3-4,7-8,19,21,26-27,30H,2,5-6,9-18,20,22H2,1H3,(H,37,40)(H,38,47)(H,39,46)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430057 (CHEMBL2336417) Show SMILES Clc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r| Show InChI InChI=1S/C34H42ClN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430059 (CHEMBL2336419) Show SMILES CCc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2c(C)n[nH]c12 Show InChI InChI=1S/C37H50N8O3/c1-3-27-21-26(22-31-25(2)40-41-34(27)31)23-33(35(46)43-17-11-29(12-18-43)42-15-7-4-8-16-42)39-36(47)44-19-13-30(14-20-44)45-24-28-9-5-6-10-32(28)38-37(45)48/h5-6,9-10,21-22,29-30,33H,3-4,7-8,11-20,23-24H2,1-2H3,(H,38,48)(H,39,47)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430065 (CHEMBL2336415) Show SMILES Ic1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r| Show InChI InChI=1S/C34H42IN7O5/c35-26-18-22(20-29-30(26)38-34(46)47-29)19-28(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-23-6-2-3-7-27(23)36-33(42)45/h2-3,6-7,18,20,24-25,28H,1,4-5,8-17,19,21H2,(H,36,45)(H,37,44)(H,38,46)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548648 (CHEMBL4746329) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548647 (CHEMBL4746351) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430063 (CHEMBL2336412) Show SMILES Brc1cc2[nH]c(=O)oc2cc1C[C@@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C34H42BrN7O5/c35-26-20-28-30(47-34(46)38-28)19-23(26)18-29(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-22-6-2-3-7-27(22)36-33(42)45/h2-3,6-7,19-20,24-25,29H,1,4-5,8-18,21H2,(H,36,45)(H,37,44)(H,38,46)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430067 (CHEMBL2336420) Show SMILES CC(C)c1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 Show InChI InChI=1S/C37H50N8O3/c1-25(2)31-21-26(20-28-23-38-41-34(28)31)22-33(35(46)43-16-10-29(11-17-43)42-14-6-3-7-15-42)40-36(47)44-18-12-30(13-19-44)45-24-27-8-4-5-9-32(27)39-37(45)48/h4-5,8-9,20-21,23,25,29-30,33H,3,6-7,10-19,22,24H2,1-2H3,(H,38,41)(H,39,48)(H,40,47)	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548656 (CHEMBL4741882) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50273291 ((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(1H-indazol-5-...) Show SMILES O=C(N[C@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C34H44N8O3/c43-32(40-16-10-27(11-17-40)39-14-4-1-5-15-39)31(21-24-8-9-30-26(20-24)22-35-38-30)37-33(44)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)36-34(42)45/h2-3,6-9,20,22,27-28,31H,1,4-5,10-19,21,23H2,(H,35,38)(H,36,45)(H,37,44)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060938 (CHEMBL3394847) Show SMILES COc1cnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c2ccccc12 |r| Show InChI InChI=1S/C25H25N5O3/c1-17-11-12-18(33-24-20-8-4-3-7-19(20)23(32-2)15-26-24)16-29(17)25(31)21-9-5-6-10-22(21)30-27-13-14-28-30/h3-10,13-15,17-18H,11-12,16H2,1-2H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50273291 ((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(1H-indazol-5-...) Show SMILES O=C(N[C@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C34H44N8O3/c43-32(40-16-10-27(11-17-40)39-14-4-1-5-15-39)31(21-24-8-9-30-26(20-24)22-35-38-30)37-33(44)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)36-34(42)45/h2-3,6-9,20,22,27-28,31H,1,4-5,10-19,21,23H2,(H,35,38)(H,36,45)(H,37,44)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from human CGRP receptor in SK-N-MC cells				J Med Chem 51: 4858-61 (2008) Article DOI: 10.1021/jm800546t BindingDB Entry DOI: 10.7270/Q2N016BV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387508 (CHEMBL2059853) Show SMILES O=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C34H43N7O5/c42-31(39-16-10-25(11-17-39)38-14-4-1-5-15-38)29(20-23-8-9-28-30(21-23)46-34(45)37-28)36-32(43)40-18-12-26(13-19-40)41-22-24-6-2-3-7-27(24)35-33(41)44/h2-3,6-9,21,25-26,29H,1,4-5,10-20,22H2,(H,35,44)(H,36,43)(H,37,45)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50430064 (CHEMBL2336413) Show SMILES Clc1cc2[nH]c(=O)oc2cc1C[C@@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C34H42ClN7O5/c35-26-20-28-30(47-34(46)38-28)19-23(26)18-29(31(43)40-14-8-24(9-15-40)39-12-4-1-5-13-39)37-32(44)41-16-10-25(11-17-41)42-21-22-6-2-3-7-27(22)36-33(42)45/h2-3,6-7,19-20,24-25,29H,1,4-5,8-18,21H2,(H,36,45)(H,37,44)(H,38,46)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM120778 (US8710076, F-2) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1nccc2ccccc12 |r| Show InChI InChI=1S/C24H23N5O2/c1-17-10-11-19(31-23-20-7-3-2-6-18(20)12-13-25-23)16-28(17)24(30)21-8-4-5-9-22(21)29-26-14-15-27-29/h2-9,12-15,17,19H,10-11,16H2,1H3/t17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r| Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548655 (CHEMBL4755081) Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3Cc4cccc(F)c4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50060938 (CHEMBL3394847) Show SMILES COc1cnc(O[C@@H]2CC[C@@H](C)N(C2)C(=O)c2ccccc2-n2nccn2)c2ccccc12 |r| Show InChI InChI=1S/C25H25N5O3/c1-17-11-12-18(33-24-20-8-4-3-7-19(20)23(32-2)15-26-24)16-29(17)25(31)21-9-5-6-10-22(21)30-27-13-14-28-30/h3-10,13-15,17-18H,11-12,16H2,1-2H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX1R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548657 (CHEMBL4755588) Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548652 (CHEMBL4754995) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)c3cc4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50273290 ((R)-N-(1-(1,4'-bipiperidin-1'-yl)-3-(benzo[b]thiop...) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C35H44N6O3S/c42-33(39-18-12-27(13-19-39)38-16-6-1-7-17-38)31(22-26-24-45-32-11-5-3-9-29(26)32)37-34(43)40-20-14-28(15-21-40)41-23-25-8-2-4-10-30(25)36-35(41)44/h2-5,8-11,24,27-28,31H,1,6-7,12-23H2,(H,36,44)(H,37,43)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research & Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from human CGRP receptor in SK-N-MC cells				J Med Chem 51: 4858-61 (2008) Article DOI: 10.1021/jm800546t BindingDB Entry DOI: 10.7270/Q2N016BV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387513 (CHEMBL2059880) Show SMILES O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C34H42N6O3S/c41-32(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-31-11-5-2-8-27(24)31)36-33(42)39-20-14-26(15-21-39)40-30-10-4-3-9-28(30)35-34(40)43/h2-5,8-11,23,25-26,29H,1,6-7,12-22H2,(H,35,43)(H,36,42)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387510 (CHEMBL2059878) Show SMILES O=C(N[C@H](Cc1ccc2nn[nH]c2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C33H43N9O3/c43-31(40-16-10-25(11-17-40)39-14-4-1-5-15-39)30(21-23-8-9-28-29(20-23)37-38-36-28)35-32(44)41-18-12-26(13-19-41)42-22-24-6-2-3-7-27(24)34-33(42)45/h2-3,6-9,20,25-26,30H,1,4-5,10-19,21-22H2,(H,34,45)(H,35,44)(H,36,37,38)/t30-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM120777 (US8710076, E-2) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(F)cccc12 |r| Show InChI InChI=1S/C24H22FN5O2/c1-16-9-10-17(32-22-11-12-26-23-19(22)6-4-7-20(23)25)15-29(16)24(31)18-5-2-3-8-21(18)30-27-13-14-28-30/h2-8,11-14,16-17H,9-10,15H2,1H3/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX1R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387509 (CHEMBL2059877) Show SMILES O=C(N[C@H](Cc1ccc2NC(=O)Cc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C35H45N7O4/c43-32-22-26-20-24(8-9-30(26)36-32)21-31(33(44)40-16-10-27(11-17-40)39-14-4-1-5-15-39)38-34(45)41-18-12-28(13-19-41)42-23-25-6-2-3-7-29(25)37-35(42)46/h2-3,6-9,20,27-28,31H,1,4-5,10-19,21-23H2,(H,36,43)(H,37,46)(H,38,45)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387512 (CHEMBL2059794) Show SMILES Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1Br |r| Show InChI InChI=1S/C32H40Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-14-8-22(9-15-38)37-12-4-1-5-13-37)36-31(43)39-16-10-23(11-17-39)40-28-7-3-2-6-26(28)35-32(40)44/h2-3,6-7,18-19,22-23,27,41H,1,4-5,8-17,20H2,(H,35,44)(H,36,43)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548654 (CHEMBL4740622) Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)c3cc4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060939 (CHEMBL3394845) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ccccn1)Oc1ccnc2c(F)cccc12 |r| Show InChI InChI=1S/C27H24FN3O2/c1-18-12-13-19(33-25-14-16-30-26-22(25)9-6-10-23(26)28)17-31(18)27(32)21-8-3-2-7-20(21)24-11-4-5-15-29-24/h2-11,14-16,18-19H,12-13,17H2,1H3/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060945 (CHEMBL3394840) Show SMILES CC1CCC(CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(Cl)cccc12 Show InChI InChI=1S/C24H22ClN5O2/c1-16-9-10-17(32-22-11-12-26-23-19(22)6-4-7-20(23)25)15-29(16)24(31)18-5-2-3-8-21(18)30-27-13-14-28-30/h2-8,11-14,16-17H,9-10,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX1R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060933 (CHEMBL3394828) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)Oc1cccc2ccccc12 |r| Show InChI InChI=1S/C26H26N4O2/c1-18-10-13-24(30-27-14-15-28-30)23(16-18)26(31)29-17-21(12-11-19(29)2)32-25-9-5-7-20-6-3-4-8-22(20)25/h3-10,13-16,19,21H,11-12,17H2,1-2H3/t19-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548659 (CHEMBL4777037) Show SMILES Clc1cc2C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C(=O)N(Cc3ccccc3)Cc2c2cn[nH]c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060940 (CHEMBL3394844) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1cnn[nH]1)Oc1ccnc2c(F)cccc12 |r| Show InChI InChI=1S/C24H22FN5O2/c1-15-9-10-16(32-22-11-12-26-23-19(22)7-4-8-20(23)25)14-30(15)24(31)18-6-3-2-5-17(18)21-13-27-29-28-21/h2-8,11-13,15-16H,9-10,14H2,1H3,(H,27,28,29)/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50060937 (CHEMBL3394848) Show SMILES FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C23H19F2N5O2/c24-23(25)11-14-29(22(31)17-6-2-4-8-19(17)30-26-12-13-27-30)15-20(23)32-21-10-9-16-5-1-3-7-18(16)28-21/h1-10,12-13,20H,11,14-15H2/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX1R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060942 (CHEMBL3394841) Show SMILES CC1CCC(CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(F)cccc12 Show InChI InChI=1S/C24H22FN5O2/c1-16-9-10-17(32-22-11-12-26-23-19(22)6-4-7-20(23)25)15-29(16)24(31)18-5-2-3-8-21(18)30-27-13-14-28-30/h2-8,11-14,16-17H,9-10,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548658 (CHEMBL4798946) Show SMILES CC(C)(C)CN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50387492 (CHEMBL2059790) Show SMILES Oc1ccc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1 |r| Show InChI InChI=1S/C32H42N6O4/c39-26-10-8-23(9-11-26)22-28(30(40)36-18-12-24(13-19-36)35-16-4-1-5-17-35)34-31(41)37-20-14-25(15-21-37)38-29-7-3-2-6-27(29)33-32(38)42/h2-3,6-11,24-25,28,39H,1,4-5,12-22H2,(H,33,42)(H,34,41)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50060946 (CHEMBL3394839) Show SMILES CC1CCC(CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(Br)cccc12 Show InChI InChI=1S/C24H22BrN5O2/c1-16-9-10-17(32-22-11-12-26-23-19(22)6-4-7-20(23)25)15-29(16)24(31)18-5-2-3-8-21(18)30-27-13-14-28-30/h2-8,11-14,16-17H,9-10,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50203736 (CHEMBL3915136) Show SMILES FC1(F)CCN(CC1Oc1nccc2ccccc12)C(=O)c1ccccc1-n1nccn1 Show InChI InChI=1S/C23H19F2N5O2/c24-23(25)10-14-29(22(31)18-7-3-4-8-19(18)30-27-12-13-28-30)15-20(23)32-21-17-6-2-1-5-16(17)9-11-26-21/h1-9,11-13,20H,10,14-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of (2S)-N-(2-pyrrol-1-ylphenyl)-1-[2-[1-(tritritiomethyl)benzimidazol-2-yl]sulfanylacetyl]pyrrolidine-2-carboxamide from human OX2 recep...				Bioorg Med Chem Lett 26: 5809-5814 (2016) Article DOI: 10.1016/j.bmcl.2016.10.019 BindingDB Entry DOI: 10.7270/Q2MS3VRG
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM104692 (US8569311, E-5) Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r| Show InChI InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human OX2R by radioligand displacement assay				Bioorg Med Chem Lett 25: 444-50 (2015) Article DOI: 10.1016/j.bmcl.2014.12.056 BindingDB Entry DOI: 10.7270/Q2KD20MV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50548649 (CHEMBL4763305) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human CGRP receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127624 BindingDB Entry DOI: 10.7270/Q2959N5N
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 24850 total )  |  Next  |  Last  >>

Jump to: