Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'keavy' and Initial = 'd'   

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))	BDBM50184069 (CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells				ACS Med Chem Lett 3: 337-341 (2012) Article DOI: 10.1021/ml300021s BindingDB Entry DOI: 10.7270/Q26D5V2R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor				Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 R&D Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor				Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576175 (CHEMBL4859941) Show SMILES CCn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576173 (CHEMBL4848032) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576172 (CHEMBL4848486) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)[nH]c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576174 (CHEMBL4857649) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					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
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor				Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50436107 (CHEMBL2397415) Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(CC1)c1cc2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C36H46N8O3/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47)/t32-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cell membranes after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576177 (CHEMBL4875327) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400098 (CHEMBL2178422) Show SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.0270	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 cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576176 (CHEMBL4874157) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ncccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					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	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576182 (CHEMBL4874451) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]cc(C#N)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576183 (CHEMBL4871223) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C1=O)cc(Cl)c1[nH]cc(C#N)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400099 (CHEMBL2178420) Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3[C@H]2N=[N+]=[N-])c1F |r| Show InChI InChI=1S/C28H26F2N8O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(5-2-12-32-25)24(18)35-36-31)41-28(40)37-14-10-16(11-15-37)38-21-7-3-13-33-26(21)34-27(38)39/h1-7,12-13,16,18,22,24H,8-11,14-15H2,(H,33,34,39)/t18-,22+,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0660	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 cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576185 (CHEMBL4873378) Show SMILES FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50388882 (CHEMBL2063115) Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r| Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells				ACS Med Chem Lett 3: 337-341 (2012) Article DOI: 10.1021/ml300021s BindingDB Entry DOI: 10.7270/Q26D5V2R
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50382794 (CHEMBL2023191) Show SMILES CN(C)C(=O)c1cc(Cl)nc(c1)C(Cc1cc(C)c2[nH]ncc2c1)OC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C30H31ClN8O4/c1-17-11-18(12-20-16-33-36-26(17)20)13-24(22-14-19(15-25(31)34-22)28(40)37(2)3)43-30(42)38-9-6-21(7-10-38)39-23-5-4-8-32-27(23)35-29(39)41/h4-5,8,11-12,14-16,21,24H,6-7,9-10,13H2,1-3H3,(H,33,36)(H,32,35,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells				ACS Med Chem Lett 3: 337-341 (2012) Article DOI: 10.1021/ml300021s BindingDB Entry DOI: 10.7270/Q26D5V2R
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400102 (CHEMBL2178424) Show SMILES O[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H27F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22,25,36H,8-11,14-15H2,(H,32,33,37)/t18-,22+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0810	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 cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576178 (CHEMBL4873084) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)oc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576186 (CHEMBL4849710) Show SMILES FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576179 (CHEMBL4846749) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]cnc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576184 (CHEMBL4877386) Show SMILES NC(=O)c1c[nH]c2c(Cl)cc3C[C@@H](CC(=O)N4CCC(CC4)n4c5cccnc5[nH]c4=O)C(=O)N(CC(F)(F)F)Cc3c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576180 (CHEMBL4853137) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]nnc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400100 (CHEMBL2178421) Show SMILES O[C@H]1[C@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H27F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22,25,36H,8-11,14-15H2,(H,32,33,37)/t18-,22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	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 cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					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
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor				Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576181 (CHEMBL4874351) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ccc21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50400101 (CHEMBL2178423) Show SMILES O[C@@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r| Show InChI InChI=1S/C28H27F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22,25,36H,8-11,14-15H2,(H,32,33,37)/t18-,22+,25+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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 cells after 2 hrs by gamma scintillation counter analysis				J Med Chem 55: 10644-51 (2012) Article DOI: 10.1021/jm3013147 BindingDB Entry DOI: 10.7270/Q2M046M8
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50388881 (CHEMBL2063116) Show SMILES Fc1cccc([C@H]2CC[C@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r| Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells				ACS Med Chem Lett 3: 337-341 (2012) Article DOI: 10.1021/ml300021s BindingDB Entry DOI: 10.7270/Q26D5V2R
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576173 (CHEMBL4848032) Show SMILES Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576175 (CHEMBL4859941) Show SMILES CCn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50576174 (CHEMBL4857649) Show SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128077 BindingDB Entry DOI: 10.7270/Q23N276F
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485806 (CHEMBL2164125) Show SMILES COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H25ClN2O4S/c1-14(2)12-19(20(22)24)23(13-15-4-8-17(27-3)9-5-15)28(25,26)18-10-6-16(21)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H2,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase expressed in IMR32 cell membranes using MBPC-125 Swedish as substrate assessed as inhibition of amyloid beta40 pr...				Bioorg Med Chem Lett 22: 6828-31 (2012) Article DOI: 10.1016/j.bmcl.2012.09.057 BindingDB Entry DOI: 10.7270/Q2RJ4NBT
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50388882 (CHEMBL2063115) Show SMILES Fc1cccc([C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)c3ncccc3C2)c1F |r| Show InChI InChI=1S/C28H27F2N5O3/c29-21-6-1-5-20(24(21)30)17-8-9-23(25-18(16-17)4-2-12-31-25)38-28(37)34-14-10-19(11-15-34)35-22-7-3-13-32-26(22)33-27(35)36/h1-7,12-13,17,19,23H,8-11,14-16H2,(H,32,33,36)/t17-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				ACS Med Chem Lett 3: 337-341 (2012) Article DOI: 10.1021/ml300021s BindingDB Entry DOI: 10.7270/Q26D5V2R
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT1 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125647 (1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-meth...) Show SMILES COc1ccc2CCC(N3CCN(CC3)C(=O)C(C)C)c2c1 Show InChI InChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125645 (1-[4-((R)-6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-...) Show SMILES COc1ccc2CC[C@@H](N3CCN(CC3)C(=O)C(C)C)c2c1 Show InChI InChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125634 (CHEMBL19653 | Cyclopropyl-[4-((R)-6-methoxy-indan-...) Show SMILES COc1ccc2CC[C@@H](N3CCN(CC3)C(=O)C3CC3)c2c1 Show InChI InChI=1S/C18H24N2O2/c1-22-15-6-4-13-5-7-17(16(13)12-15)19-8-10-20(11-9-19)18(21)14-2-3-14/h4,6,12,14,17H,2-3,5,7-11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125644 (4-((R)-6-Methoxy-indan-1-yl)-piperazine-1-carboxyl...) Show SMILES CCNC(=O)N1CCN(CC1)[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125633 (1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-butan-...) Show SMILES CCCC(=O)N1CCN(CC1)C1CCc2ccc(OC)cc12 Show InChI InChI=1S/C18H26N2O2/c1-3-4-18(21)20-11-9-19(10-12-20)17-8-6-14-5-7-15(22-2)13-16(14)17/h5,7,13,17H,3-4,6,8-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125639 (CHEMBL19339 | Cyclopropyl-[4-(6-methoxy-indan-1-yl...) Show SMILES COc1ccc2CCC(N3CCN(CC3)C(=O)C3CC3)c2c1 Show InChI InChI=1S/C18H24N2O2/c1-22-15-6-4-13-5-7-17(16(13)12-15)19-8-10-20(11-9-19)18(21)14-2-3-14/h4,6,12,14,17H,2-3,5,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125649 (4-(6-Methoxy-indan-1-yl)-piperazine-1-carboxylic a...) Show SMILES CCNC(=O)N1CCN(CC1)C1CCc2ccc(OC)cc12 Show InChI InChI=1S/C17H25N3O2/c1-3-18-17(21)20-10-8-19(9-11-20)16-7-5-13-4-6-14(22-2)12-15(13)16/h4,6,12,16H,3,5,7-11H2,1-2H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476941 (CHEMBL233363) Show SMILES C[C@H](CCc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23Cl2NO3S/c1-17(7-8-18-5-3-2-4-6-18)26(23-15-21(25)10-9-19(23)16-27)30(28,29)22-13-11-20(24)12-14-22/h2-6,9-15,17,27H,7-8,16H2,1H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477715 (CHEMBL248647) Show SMILES COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H23ClN2O4S/c1-27-17-9-5-15(6-10-17)14-23(19-4-2-3-13-22-20(19)24)28(25,26)18-11-7-16(21)8-12-18/h5-12,19H,2-4,13-14H2,1H3,(H,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of gamma-secretase in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta40 production after 19 hrs				Bioorg Med Chem Lett 22: 6828-31 (2012) Article DOI: 10.1016/j.bmcl.2012.09.057 BindingDB Entry DOI: 10.7270/Q2RJ4NBT
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476939 (CHEMBL233364) Show SMILES CCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2NO3S/c1-3-4-5-14(2)22(19-12-17(21)7-6-15(19)13-23)26(24,25)18-10-8-16(20)9-11-18/h6-12,14,23H,3-5,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476940 (CHEMBL233362) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476947 (CHEMBL394661) Show SMILES CC(CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20Cl2FNO3S/c1-13(3-2-10-21)22(18-11-16(20)5-4-14(18)12-23)26(24,25)17-8-6-15(19)7-9-17/h4-9,11,13,23H,2-3,10,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476919 (CHEMBL232948) Show SMILES CC(C1CCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21Cl2NO3S/c1-13(14-3-2-4-14)22(19-11-17(21)6-5-15(19)12-23)26(24,25)18-9-7-16(20)8-10-18/h5-11,13-14,23H,2-4,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair

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