Compile Data Set for Download or QSAR

Found 29821 hits with Last Name = 'shi' 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
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118462 (2,2,2-Trifluoro-N-[2-(6-methoxy-2-phenyl-3H-inden-...) Show SMILES COc1ccc2CC(=C(CCNC(=O)C(F)(F)F)c2c1)c1ccccc1 |t:7| Show InChI InChI=1S/C20H18F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12H,9-11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.00602	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343599 (CHEMBL1774522 | N-[2-(7-Phenyl-1,6-dihydro-2H-inde...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccccc1 |t:6| Show InChI InChI=1S/C21H21NO2/c1-14(23)22-11-9-17-19(15-5-3-2-4-6-15)13-16-7-8-20-18(21(16)17)10-12-24-20/h2-8H,9-13H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343599 (CHEMBL1774522 | N-[2-(7-Phenyl-1,6-dihydro-2H-inde...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccccc1 |t:6| Show InChI InChI=1S/C21H21NO2/c1-14(23)22-11-9-17-19(15-5-3-2-4-6-15)13-16-7-8-20-18(21(16)17)10-12-24-20/h2-8H,9-13H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118435 (2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]...) Show SMILES COc1ccc2CC[C@@H](CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50118470 (CHEMBL1218 | N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-...) Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 Show InChI InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human MT1 expressed in CHO cells				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01836 BindingDB Entry DOI: 10.7270/Q25H7M2B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495071 (US10995084, Ex. No. 3A-8) Show SMILES Cc1cccc(c1)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)c1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1)C(C)(C)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118446 (2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]...) Show SMILES COc1ccc2CCC(CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C14H16F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h4-5,8,10H,2-3,6-7H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118456 (CHEMBL334645 | N-[2-(6-Methoxy-3H-inden-1-yl)-ethy...) Show SMILES CCC(=O)NCCC1=CCc2ccc(OC)cc12 |t:7| Show InChI InChI=1S/C15H19NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50419354 (GR205171A | VOFOPITANT DIHYDROCHLORIDE) Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.0251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347590 (CHEMBL1802028) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C1CC1 Show InChI InChI=1S/C17H21N3O2/c1-2-15(21)18-8-5-13-16(11-3-4-11)19-20-9-6-14-12(17(13)20)7-10-22-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575683 (CHEMBL4868554) Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)sc3c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01836 BindingDB Entry DOI: 10.7270/Q25H7M2B
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50143784 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...) Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 289: 1262-70 (1999) BindingDB Entry DOI: 10.7270/Q2Q52N5Q
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495037 (US10995084, Ex. No. 1A-4) Show SMILES Cc1cc(Cc2ccc(cc2C)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2C(C)(C)C#N)c2cccc(Cl)c2)c(=O)[nH]n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM103443 (US8552037, 90) Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12 |r| Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01836 BindingDB Entry DOI: 10.7270/Q25H7M2B
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118453 ((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide ...) Show SMILES CCCC(=O)NCC[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM103449 (US8552037, 97) Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)sc3c12 Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01836 BindingDB Entry DOI: 10.7270/Q25H7M2B
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50420815 (CHEMBL2088054) Show SMILES NC(=O)C(CN1CCC2(CC1)OCCc1cc(Cl)sc21)Cc1ccccc1Cl Show InChI InChI=1S/C21H24Cl2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0373	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Agonist activity at human cloned NOP receptor expressed in CHO cell membranes after 30 mins by [35S]GTPgammaS binding assay				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347593 (CHEMBL1802026) Show SMILES CCC(=O)NCCc1c(CC)nn2ccc3OCCc3c12 Show InChI InChI=1S/C16H21N3O2/c1-3-13-11(5-8-17-15(20)4-2)16-12-7-10-21-14(12)6-9-19(16)18-13/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495155 (US10995084, Ex. No. 5C-1) Show SMILES Cc1cc(Oc2ccc(cc2C)C(=O)N[C@H](CO)C(=O)N2[C@@H](CC[C@@H]2C(C)(C)C#N)c2cccc(Cl)c2)c(=O)[nH]n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495051 (US10995084, Ex. No. 2B-9) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)O)c1cccc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495100 (US10995084, Ex. No. 4B-6) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@@H](CC[C@@H]1C1(COC1)C#N)c1cccc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118440 (2,2,2-Trifluoro-N-[2-(6-methoxy-3H-inden-1-yl)-eth...) Show SMILES COc1ccc2CC=C(CCNC(=O)C(F)(F)F)c2c1 |t:7| Show InChI InChI=1S/C14H14F3NO2/c1-20-11-5-4-9-2-3-10(12(9)8-11)6-7-18-13(19)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0408	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118430 ((S) N-[2-(6-Methoxy-indan-1-yl)-ethyl]-propionamid...) Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc(OC)cc12 Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-9-8-12-5-4-11-6-7-13(18-2)10-14(11)12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347589 (CHEMBL1802027) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)C1CC1 Show InChI InChI=1S/C16H19N3O2/c1-10(20)17-7-4-13-15(11-2-3-11)18-19-8-5-14-12(16(13)19)6-9-21-14/h5,8,11H,2-4,6-7,9H2,1H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118463 (2,2,2-Trifluoro-N-[2-(7-methoxy-1,2,3,4-tetrahydro...) Show SMILES COc1ccc2CCCC(CCNC(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C15H18F3NO2/c1-21-12-6-5-10-3-2-4-11(13(10)9-12)7-8-19-14(20)15(16,17)18/h5-6,9,11H,2-4,7-8H2,1H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495145 (US10995084, Ex. No. 5A-7) Show SMILES CCC(C)(C)[C@H]1CC[C@H](N1C(=O)CNC(=O)c1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1)c1cccc(F)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495072 (US10995084, Ex. No. 3A-9) Show SMILES Cc1cc(Cc2ccc(cc2C)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2C(C)(C)C=C)c2cccc(F)c2)c(=O)[nH]n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495101 (US10995084, Ex. No. 4B-7) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@H](CC[C@H]1c1cccc(Cl)c1)[C@H](C)N1CCCC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495102 (US10995084, Ex. No. 4B-8) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)n1)C(=O)N1[C@H](CC[C@H]1c1cccc(Cl)c1)[C@H](C)N1CCCC1=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495135 (US10995084, Ex. No. 4B-41) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@H](CC[C@H]1c1cccc(Cl)c1)[C@H](C)N(CC(F)(F)F)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495127 (US10995084, Ex. No. 4B-33) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)n1)C(=O)N1[C@H](CC[C@H]1c1cccc(Cl)c1)[C@H](C)N(CC(F)(F)F)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495041 (US10995084, Ex. No. 2A-4) Show SMILES Cc1cc(Oc2ccc(cc2C)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2C(C)(C)C#N)c2cc(F)cc(F)c2)c(=O)[nH]n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495042 (US10995084, Ex. No. 2B-1) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)C#N)c1cccc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495054 (US10995084, Ex. No. 2B-12) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@@H](CC[C@@H]1C1(CC1)C#N)c1cccc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50118450 (CHEMBL335437 | N-[2-(6-Methoxy-indan-1-yl)-ethyl]-...) Show SMILES CCCC(=O)NCCC1CCc2ccc(OC)cc12 Show InChI InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0553	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.				J Med Chem 45: 4212-21 (2002) BindingDB Entry DOI: 10.7270/Q2J102HG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575683 (CHEMBL4868554) Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)sc3c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01836 BindingDB Entry DOI: 10.7270/Q25H7M2B
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495036 (US10995084, Ex. No. 1A-2) Show SMILES Cc1cc(Cc2ccc(cc2C)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2C(C)(C)C#N)c2cccc(F)c2)c(=O)[nH]n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495125 (US10995084, Ex. No. 4B-31) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@H](CC[C@H]1c1cccc(Cl)c1)C(N(C)C(C)=O)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495124 (US10995084, Ex. No. 4B-30) Show SMILES C[C@@H](NC(=O)c1cc(C)c(Oc2cc(C)n[nH]c2=O)c(F)c1)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)C#N)c1cccc(Br)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495119 (US10995084, Ex. No. 4B-25) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)n1)C(=O)N1[C@@H](CC[C@@H]1C(C)(C)C#N)c1cc(F)cc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495126 (US10995084, Ex. No. 4B-32) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)n1)C(=O)N1[C@H](CC[C@H]1c1cccc(Cl)c1)C(N(C)C(C)=O)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495092 (US10995084, Ex. No. 4A-7) Show SMILES Cc1cc(Oc2ccc(cc2C)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2C(C)(C)C#N)c2cccc(Cl)c2)c(=O)[nH]n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495099 (US10995084, Ex. No. 4B-5) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@@H](CC[C@@H]1C1(CCC1)C#N)c1cccc(Cl)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM495153 (US10995084, Ex. No. 5B-1) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2cc(C)n[nH]c2=O)c(C)c1)C(=O)N1[C@H](C[C@@H](O)[C@H]1c1cccc(F)c1)C(C)(C)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KISSEI PHARMACEUTICAL CO., LTD. US Patent					Assay Description The binding affinity assay of compounds for human CGRP receptor was carried out by inhibition of radiolabeled ligand [125I]-CGRP binding in human neu...				US Patent US10995084 (2021) BindingDB Entry DOI: 10.7270/Q24T6NH0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347588 (CHEMBL1802025) Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O Show InChI InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50004193 (CHEMBL3236476) Show SMILES OC(C(O)C(O)=O)C(O)=O.CN(C)Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCCc2cc(F)sc32)c(C)n1 Show InChI InChI=1S/C25H30F2N4OS.C4H6O6/c1-17-20(16-31(28-17)23-19(14-29(2)3)5-4-6-21(23)26)15-30-10-8-25(9-11-30)24-18(7-12-32-25)13-22(27)33-24;5-1(3(7)8)2(6)4(9)10/h4-6,13,16H,7-12,14-15H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0648	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]-nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by scintillation counting				J Med Chem 57: 3418-29 (2014) Article DOI: 10.1021/jm500117r BindingDB Entry DOI: 10.7270/Q26Q1ZS0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM103445 (US8552037, 92) Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)oc3c12 Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01836 BindingDB Entry DOI: 10.7270/Q25H7M2B
					More data for this Ligand-Target Pair

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