Compile Data Set for Download or QSAR

Found 623 hits with Last Name = 'kelly' and Initial = 'g'   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099016 (CHEMBL275964 | Cyclohexanecarboxylic acid {(S)-1-b...) Show SMILES Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C22H30ClN5OS/c23-20-21(26-30-25-20)28-13-11-27(12-14-28)16-19(15-17-7-3-1-4-8-17)24-22(29)18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,24,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166904 (CHEMBL193206 | N-{(R)-2-[4-(2,3-Dihydro-benzo[1,4]...) Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C27H29N5O5/c1-20(29-13-15-30(16-14-29)23-5-4-6-24-26(23)37-18-17-36-24)19-31(25-7-2-3-12-28-25)27(33)21-8-10-22(11-9-21)32(34)35/h2-12,20H,13-19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166901 (4-Chloro-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin...) Show SMILES C[C@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C27H29ClN4O3/c1-20(19-32(25-7-2-3-12-29-25)27(33)21-8-10-22(28)11-9-21)30-13-15-31(16-14-30)23-5-4-6-24-26(23)35-18-17-34-24/h2-12,20H,13-19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099015 (CHEMBL10796 | Cyclohexanecarboxylic acid {(R)-1-be...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C24H35N5O2S/c1-27(24(30)20-11-7-4-8-12-20)21(17-19-9-5-3-6-10-19)18-28-13-15-29(16-14-28)22-23(31-2)26-32-25-22/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166903 (4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...) Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166899 (CHEMBL435111 | N-{(R)-2-[4-(2,3-Dihydro-benzo[1,4]...) Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C28H29F3N4O3/c1-20(33-13-15-34(16-14-33)23-5-4-6-24-26(23)38-18-17-37-24)19-35(25-7-2-3-12-32-25)27(36)21-8-10-22(11-9-21)28(29,30)31/h2-12,20H,13-19H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099011 (1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1 Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166902 (CHEMBL195425 | N-{(S)-2-[4-(2,3-Dihydro-benzo[1,4]...) Show SMILES C[C@@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C27H29N5O5/c1-20(29-13-15-30(16-14-29)23-5-4-6-24-26(23)37-18-17-36-24)19-31(25-7-2-3-12-28-25)27(33)21-8-10-22(11-9-21)32(34)35/h2-12,20H,13-19H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099014 (CHEMBL10793 | Cyclohexanecarboxylic acid {(R)-1-be...) Show SMILES CN([C@@H](CN1CCN(CC1)c1nsnc1Cl)Cc1ccccc1)C(=O)C1CCCCC1 Show InChI InChI=1S/C23H32ClN5OS/c1-27(23(30)19-10-6-3-7-11-19)20(16-18-8-4-2-5-9-18)17-28-12-14-29(15-13-28)22-21(24)25-31-26-22/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166900 (4-Chloro-N-{(S)-2-[4-(2,3-dihydro-benzo[1,4]dioxin...) Show SMILES C[C@@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C27H29ClN4O3/c1-20(19-32(25-7-2-3-12-29-25)27(33)21-8-10-22(28)11-9-21)30-13-15-31(16-14-30)23-5-4-6-24-26(23)35-18-17-34-24/h2-12,20H,13-19H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166906 (CHEMBL365350 | N-{(S)-2-[4-(2,3-Dihydro-benzo[1,4]...) Show SMILES C[C@@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C28H29F3N4O3/c1-20(33-13-15-34(16-14-33)23-5-4-6-24-26(23)38-18-17-37-24)19-35(25-7-2-3-12-32-25)27(36)21-8-10-22(11-9-21)28(29,30)31/h2-12,20H,13-19H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50166905 (4-Cyano-N-{(S)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...) Show SMILES C[C@@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12 Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells				J Med Chem 48: 3467-70 (2005) Article DOI: 10.1021/jm049493z BindingDB Entry DOI: 10.7270/Q2S1838Z
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099013 (CHEMBL10603 | N-{(R)-1-Benzyl-2-[4-(4-methoxy-[1,2...) Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C24H29N5O2S/c1-27(24(30)20-11-7-4-8-12-20)21(17-19-9-5-3-6-10-19)18-28-13-15-29(16-14-28)22-23(31-2)26-32-25-22/h3-12,21H,13-18H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211726 (CHEMBL403896 | FR-901451) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3)C(O)=O Show InChI InChI=1S/C61H81N13O18/c1-30(2)23-39-53(81)65-37-17-10-11-21-63-46(76)27-43(61(89)90)71-55(83)41-28-48(78)91-29-44(72-57(85)45-18-12-22-74(45)60(88)42(70-51(37)79)24-33-13-6-5-7-14-33)56(84)66-38(19-20-47(77)92-32(4)50(59(87)69-39)73-58(86)49(62)31(3)75)52(80)67-40(54(82)68-41)26-35-25-34-15-8-9-16-36(34)64-35/h5-9,13-16,25,30-32,37-45,49-50,64,75H,10-12,17-24,26-29,62H2,1-4H3,(H,63,76)(H,65,81)(H,66,84)(H,67,80)(H,68,82)(H,69,87)(H,70,79)(H,71,83)(H,72,85)(H,73,86)(H,89,90)/t31-,32+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50080264 (1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...) Show SMILES C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C Show InChI InChI=1S/C47H63N9O13/c1-8-28-40(61)51-30-16-17-36(59)56(44(30)65)33(19-26-13-10-9-11-14-26)45(66)55(7)32-20-27-21-34(57)35(58)22-31(27)52-47(68)48-18-12-15-29(50-39(60)24(4)5)41(62)54-38(43(64)49-28)25(6)69-46(67)37(23(2)3)53-42(32)63/h8-11,13-14,21-25,29-30,32-33,36-38,57-59H,12,15-20H2,1-7H3,(H,49,64)(H,50,60)(H,51,61)(H,53,63)(H,54,62)(H2,48,52,68)/b28-8-/t25-,29-,30-,32-,33-,36+,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211725 ((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C51H80N12O15S2/c1-6-8-11-31(52)43(69)58-35-24-79-80-25-39(55-33(51(77)78)22-29-14-16-30(66)17-15-29)59-44(70)32(18-19-38(53)67)56-47(73)36-12-9-20-62(36)49(75)37-13-10-21-63(37)50(76)40(26(3)7-2)60-45(71)34(23-64)57-42(68)27(4)54-48(74)41(28(5)65)61-46(35)72/h14-17,26-28,31-37,39-41,55,64-66H,6-13,18-25,52H2,1-5H3,(H2,53,67)(H,54,74)(H,56,73)(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,61,72)(H,77,78)/t26-,27-,28+,31-,32-,33-,34-,35-,36-,37-,39+,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211723 (2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6] Show InChI InChI=1S/C66H101N17O18S2/c1-33(2)25-39-55(91)78-44-31-102-103-32-45(77-54(90)38(17-11-21-69-66(67)68)71-49(86)29-70-53(89)40(28-50(87)88)73-59(95)46-18-12-22-81(46)64(100)42(75-57(44)93)27-37-15-9-8-10-16-37)58(94)80-52(36(7)85)62(98)79-51(35(5)6)61(97)76-43(30-84)56(92)74-41(26-34(3)4)63(99)83-24-14-20-48(83)65(101)82-23-13-19-47(82)60(96)72-39/h8-10,15-16,33-36,38-48,51-52,84-85H,11-14,17-32H2,1-7H3,(H,70,89)(H,71,86)(H,72,96)(H,73,95)(H,74,92)(H,75,93)(H,76,97)(H,77,90)(H,78,91)(H,79,98)(H,80,94)(H,87,88)(H4,67,68,69)/t36-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,51+,52+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211721 ((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C53H84N12O15S2/c1-7-9-12-32(54)44(70)59-36-25-81-82-26-40(56-34(53(79)80)23-30-15-17-31(68)18-16-30)60-45(71)33(19-20-39(55)69)57-48(74)37-13-10-21-64(37)51(77)38-14-11-22-65(38)52(78)42(28(5)8-2)62-46(72)35(24-66)58-50(76)43(29(6)67)63-49(75)41(27(3)4)61-47(36)73/h15-18,27-29,32-38,40-43,56,66-68H,7-14,19-26,54H2,1-6H3,(H2,55,69)(H,57,74)(H,58,76)(H,59,70)(H,60,71)(H,61,73)(H,62,72)(H,63,75)(H,79,80)/t28-,29+,32-,33-,34-,35-,36-,37-,38-,40+,41-,42-,43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211722 ((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C52H82N12O16S2/c1-6-8-11-31(53)43(70)58-35-24-81-82-25-39(55-33(52(79)80)22-29-14-16-30(68)17-15-29)59-44(71)32(18-19-38(54)69)56-47(74)36-12-9-20-63(36)50(77)37-13-10-21-64(37)51(78)40(26(3)7-2)60-45(72)34(23-65)57-48(75)41(27(4)66)62-49(76)42(28(5)67)61-46(35)73/h14-17,26-28,31-37,39-42,55,65-68H,6-13,18-25,53H2,1-5H3,(H2,54,69)(H,56,74)(H,57,75)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,76)(H,79,80)/t26-,27+,28+,31-,32-,33-,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099012 (CHEMBL10764 | N-{(S)-1-Benzyl-2-[4-(4-chloro-[1,2,...) Show SMILES Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1 Show InChI InChI=1S/C21H23ClN6OS/c22-19-20(26-30-25-19)28-12-10-27(11-13-28)15-18(14-16-4-2-1-3-5-16)24-21(29)17-6-8-23-9-7-17/h1-9,18H,10-15H2,(H,24,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 11: 1069-71 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1JWX
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50223719 (CHEMBL3348530) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)| Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,52,56)(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t32-,34-,35-,36+,37-,38-,39-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Intracellular level of cAMP in cells expressing the melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50354849 (CCI-18781 | Cutivate | FLUTICASONE PROPIONATE | Fl...) Show SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14| Show InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50138293 ((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...) Show SMILES CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C36H50ClN5O5S/c1-36(2,3)25-34(44)40-19-17-39(18-20-40)33(43)24-29(23-27-11-13-30(37)14-12-27)35(45)41-21-15-38(16-22-41)31-7-5-6-8-32(31)42(48(4,46)47)26-28-9-10-28/h5-8,11-14,28-29H,9-10,15-26H2,1-4H3/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Intracellular level of cAMP in cells expressing the melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20464 ((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...) Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1 Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357083 (CHEMBL1917414) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,c:13,t:9| Show InChI InChI=1S/C33H33NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,11,13,15-16,21-22,24,28,36H,9-10,12,14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357084 (CHEMBL1917413) Show SMILES Cc1nc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)sc1C |r,t:15| Show InChI InChI=1S/C31H37NO6S2/c1-17-18(2)40-28(32-17)39-16-25(35)31(38-27(36)24-6-5-13-37-24)12-10-22-21-8-7-19-14-20(33)9-11-29(19,3)26(21)23(34)15-30(22,31)4/h5-6,13-14,21-23,26,34H,7-12,15-16H2,1-4H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20464 ((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...) Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1 Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50158665 ((E)-3-(4-tert-Butyl-phenyl)-N-quinolin-7-yl-acryla...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)cc1 Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-6-16(7-11-18)8-13-21(25)24-19-12-9-17-5-4-14-23-20(17)15-19/h4-15H,1-3H3,(H,24,25)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Nyrada Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115344 BindingDB Entry DOI: 10.7270/Q2Z89H0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50158658 ((E)-3-(2-Morpholin-4-yl-6-trifluoromethyl-pyridin-...) Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCOCC1 Show InChI InChI=1S/C22H19F3N4O2/c23-22(24,25)19-7-4-16(21(28-19)29-10-12-31-13-11-29)5-8-20(30)27-17-6-3-15-2-1-9-26-18(15)14-17/h1-9,14H,10-13H2,(H,27,30)/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50223719 (CHEMBL3348530) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)| Show InChI InChI=1S/C48H66N14O9/c1-2-3-15-32(49)41(64)59-39-24-40(63)53-19-10-9-17-35(47(70)71)58-44(67)37(22-29-25-55-33-16-8-7-14-31(29)33)61-42(65)34(18-11-20-54-48(50)51)57-43(66)36(21-28-12-5-4-6-13-28)60-45(68)38(62-46(39)69)23-30-26-52-27-56-30/h4-8,12-14,16,25-27,32,34-39,55H,2-3,9-11,15,17-24,49H2,1H3,(H,52,56)(H,53,63)(H,57,66)(H,58,67)(H,59,64)(H,60,68)(H,61,65)(H,62,69)(H,70,71)(H4,50,51,54)/t32-,34-,35-,36+,37-,38-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50138288 (4-((S)-3-(4-Chloro-benzyl)-4-{4-[2-(2-cyclopropyl-...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C33H44ClN5O6S/c1-3-45-33(42)38-20-16-36(17-21-38)31(40)23-27(22-25-10-12-28(34)13-11-25)32(41)37-18-14-35(15-19-37)29-6-4-5-7-30(29)39(46(2,43)44)24-26-8-9-26/h4-7,10-13,26-27H,3,8-9,14-24H2,1-2H3/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357093 (CHEMBL1917251) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1cnc2ccccc2n1 |r,t:9| Show InChI InChI=1S/C34H36N2O6S/c1-32-13-11-21(37)16-20(32)9-10-22-23-12-14-34(33(23,2)17-26(38)30(22)32,42-31(40)27-8-5-15-41-27)28(39)19-43-29-18-35-24-6-3-4-7-25(24)36-29/h3-8,15-16,18,22-23,26,30,38H,9-14,17,19H2,1-2H3/t22-,23-,26-,30+,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50362450 (CHEMBL1940557) Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,t:7| Show InChI InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19-,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-8 production				Bioorg Med Chem Lett 22: 1086-90 (2012) Article DOI: 10.1016/j.bmcl.2011.11.120 BindingDB Entry DOI: 10.7270/Q2JH3MNV
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50362458 (CHEMBL1940694) Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1cccc(C)n1 |r,c:11,t:7| Show InChI InChI=1S/C28H35NO4S/c1-16-12-21-20-9-8-18-13-19(30)10-11-26(18,3)25(20)22(31)14-27(21,4)28(16,33)23(32)15-34-24-7-5-6-17(2)29-24/h5-7,10-11,13,16,20-22,25,31,33H,8-9,12,14-15H2,1-4H3/t16-,20+,21+,22+,25-,26+,27+,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-8 production				Bioorg Med Chem Lett 22: 1086-90 (2012) Article DOI: 10.1016/j.bmcl.2011.11.120 BindingDB Entry DOI: 10.7270/Q2JH3MNV
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50158658 ((E)-3-(2-Morpholin-4-yl-6-trifluoromethyl-pyridin-...) Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCOCC1 Show InChI InChI=1S/C22H19F3N4O2/c23-22(24,25)19-7-4-16(21(28-19)29-10-12-31-13-11-29)5-8-20(30)27-17-6-3-15-2-1-9-26-18(15)14-17/h1-9,14H,10-13H2,(H,27,30)/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357086 (CHEMBL1917246) Show SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1nc2ccccc2s1 |r,c:12,t:8| Show InChI InChI=1S/C29H31F2NO4S2/c1-15-10-17-18-12-20(30)19-11-16(33)8-9-26(19,2)28(18,31)23(34)13-27(17,3)29(15,36)24(35)14-37-25-32-21-6-4-5-7-22(21)38-25/h4-9,11,15,17-18,20,23,34,36H,10,12-14H2,1-3H3/t15-,17+,18+,20+,23+,26+,27+,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357091 (CHEMBL1917254) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 |r,t:9| Show InChI InChI=1S/C33H35NO6S2/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,40-29(38)25-7-5-15-39-25)27(37)18-41-30-34-23-6-3-4-8-26(23)42-30/h3-8,15-16,21-22,24,28,36H,9-14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50158665 ((E)-3-(4-tert-Butyl-phenyl)-N-quinolin-7-yl-acryla...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)cc1 Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-6-16(7-11-18)8-13-21(25)24-19-12-9-17-5-4-14-23-20(17)15-19/h4-15H,1-3H3,(H,24,25)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of pH-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50138301 (4-[(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phen...) Show SMILES CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(Cl)cc1)C(C)=O Show InChI InChI=1S/C36H50ClN5O5/c1-7-42(27(3)43)26(2)31-10-8-9-11-32(31)38-16-20-40(21-17-38)34(45)29(24-28-12-14-30(37)15-13-28)25-33(44)39-18-22-41(23-19-39)35(46)47-36(4,5)6/h8-15,26,29H,7,16-25H2,1-6H3/t26?,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357087 (CHEMBL1917416) Show SMILES Cc1ccnc(SCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)OC(=O)c2ccco2)n1 |r,c:21,t:17| Show InChI InChI=1S/C31H34N2O6S/c1-18-10-13-32-28(33-18)40-17-25(36)31(39-27(37)24-5-4-14-38-24)12-9-22-21-7-6-19-15-20(34)8-11-29(19,2)26(21)23(35)16-30(22,31)3/h4-5,8,10-11,13-15,21-23,26,35H,6-7,9,12,16-17H2,1-3H3/t21-,22-,23-,26+,29-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357088 (CHEMBL1917415) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12 |r,c:13,t:9| Show InChI InChI=1S/C35H35NO6S/c1-33-14-11-23(37)18-22(33)9-10-25-26-12-15-35(34(26,2)19-27(38)30(25)33,42-32(40)28-8-5-17-41-28)29(39)20-43-31-24-7-4-3-6-21(24)13-16-36-31/h3-8,11,13-14,16-18,25-27,30,38H,9-10,12,15,19-20H2,1-2H3/t25-,26-,27-,30+,33-,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357085 (CHEMBL1917253) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2o1 |r,t:9| Show InChI InChI=1S/C33H35NO7S/c1-31-13-11-20(35)16-19(31)9-10-21-22-12-14-33(32(22,2)17-24(36)28(21)31,41-29(38)26-8-5-15-39-26)27(37)18-42-30-34-23-6-3-4-7-25(23)40-30/h3-8,15-16,21-22,24,28,36H,9-14,17-18H2,1-2H3/t21-,22-,24-,28+,31-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50158681 ((E)-3-(4-tert-Butyl-phenyl)-N-(2-oxo-1,2,3,4-tetra...) Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3CCC(=O)Nc3c2)cc1 Show InChI InChI=1S/C22H24N2O2/c1-22(2,3)17-9-4-15(5-10-17)6-12-20(25)23-18-11-7-16-8-13-21(26)24-19(16)14-18/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)(H,24,26)/b12-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of capsaicin-induced calcium uptake by transient receptor potential vanilloid type 1 expressed in CHO cells				J Med Chem 48: 71-90 (2005) Article DOI: 10.1021/jm049485i BindingDB Entry DOI: 10.7270/Q2J67GDG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50357094 (CHEMBL1917250) Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ccc2ccccc2n1 |r,t:9| Show InChI InChI=1S/C35H37NO6S/c1-33-15-13-23(37)18-22(33)10-11-24-25-14-16-35(34(25,2)19-27(38)31(24)33,42-32(40)28-8-5-17-41-28)29(39)20-43-30-12-9-21-6-3-4-7-26(21)36-30/h3-9,12,17-18,24-25,27,31,38H,10-11,13-16,19-20H2,1-2H3/t24-,25-,27-,31+,33-,34-,35-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis				Bioorg Med Chem Lett 21: 6343-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.108 BindingDB Entry DOI: 10.7270/Q2FF3SRN
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50130009 ((4S,15R,18S,21S,24S)-5-((S)-2-Acetylamino-hexanoyl...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O Show InChI InChI=1S/C49H69N13O9/c1-3-4-17-35(56-29(2)63)43(66)61-39-27-41(64)53-22-11-10-19-34(42(50)65)57-46(69)38(26-31-28-55-33-18-9-8-16-32(31)33)59-44(67)36(20-12-23-54-49(51)52)58-45(68)37(25-30-14-6-5-7-15-30)60-47(70)40-21-13-24-62(40)48(39)71/h5-9,14-16,18,28,34-40,55H,3-4,10-13,17,19-27H2,1-2H3,(H2,50,65)(H,53,64)(H,56,63)(H,57,69)(H,58,68)(H,59,67)(H,60,70)(H,61,66)(H4,51,52,54)/t34-,35+,36+,37+,38-,39+,40+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 4 receptor (hMC4R) using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 13: 2337-40 (2003) BindingDB Entry DOI: 10.7270/Q21G0MTZ
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50138290 ((S)-2-(4-Chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-m...) Show SMILES CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCN(CC2CC2)CC1)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C34H46ClN5O4S/c1-45(43,44)40(25-28-8-9-28)32-5-3-2-4-31(32)37-18-20-39(21-19-37)34(42)29(22-26-10-12-30(35)13-11-26)23-33(41)38-16-14-36(15-17-38)24-27-6-7-27/h2-5,10-13,27-29H,6-9,14-25H2,1H3/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50138294 (4-((S)-3-(4-Chloro-benzyl)-4-{4-[2-(2-cyclopropyl-...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O Show InChI InChI=1S/C35H48ClN5O6S/c1-35(2,3)47-34(44)40-21-17-38(18-22-40)32(42)24-28(23-26-11-13-29(36)14-12-26)33(43)39-19-15-37(16-20-39)30-7-5-6-8-31(30)41(48(4,45)46)25-27-9-10-27/h5-8,11-14,27-28H,9-10,15-25H2,1-4H3/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-NDP-alpha-MSH binding to the human melanocortin 4 receptor				Bioorg Med Chem Lett 14: 377-81 (2003) BindingDB Entry DOI: 10.7270/Q2902363
					More data for this Ligand-Target Pair

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