Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'dellureficio' and Initial = 'jp'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021345 (CHEMBL3287928) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	637	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021331 (CHEMBL3287930) Show SMILES CC(C)(O)c1cnc(cn1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H18ClFN4OS/c1-22(2,29)20-12-25-18(11-26-20)21-19(30-17-9-3-14(23)4-10-17)13-28(27-21)16-7-5-15(24)6-8-16/h3-13,29H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50350538 (CHEMBL1812717) Show SMILES CC(C)(O)c1ccc(cn1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-22(2,28)17-9-5-14(11-25-17)19-21(30-18-10-6-15(23)12-26-18)29-20(27-19)13-3-7-16(24)8-4-13/h3-12,28H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021346 (CHEMBL3287926) Show SMILES Clc1ccc(Sc2c[nH]nc2-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C17H13ClN2O2S/c18-12-2-4-13(5-3-12)23-16-10-19-20-17(16)11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021329 (CHEMBL3287932) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cn1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H14ClFN2O3S2/c1-30(26,27)17-9-4-13(5-10-17)19-21(29-18-11-6-15(22)12-24-18)28-20(25-19)14-2-7-16(23)8-3-14/h2-12H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021344 (CHEMBL3287929) Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021334 (CHEMBL3287931) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(oc1Sc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C22H16ClNO3S2/c1-29(25,26)19-13-7-15(8-14-19)20-22(28-18-11-9-17(23)10-12-18)27-21(24-20)16-5-3-2-4-6-16/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50021330 (CHEMBL3287927) Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc3OCCOc3c2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H17ClN2O2S/c24-17-7-9-19(10-8-17)29-22-15-26(18-4-2-1-3-5-18)25-23(22)16-6-11-20-21(14-16)28-13-12-27-20/h1-11,14-15H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from human ERG				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50329956 (((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C35H44ClF2N5O/c1-21-14-24-27(16-29(21)36)35(17-28(24)34(5,6)32-39-20-40-41(32)7)10-12-42(13-11-35)31(44)26-19-43(33(2,3)4)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,20,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MC4 receptor				Bioorg Med Chem Lett 20: 6524-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.049 BindingDB Entry DOI: 10.7270/Q24M94SF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50329959 ((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...) Show SMILES CN(C1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(C[C@@H](c3cc(C)c(Cl)cc23)C(C)(C)c2ncnn2C)CC1)C1CCOCC1 |r| Show InChI InChI=1S/C38H48ClF2N5O2/c1-23-16-30-31(20-33(23)39)38(21-32(30)37(2,3)36-42-22-43-45(36)5)10-12-46(13-11-38)35(47)29-19-26(44(4)25-8-14-48-15-9-25)18-28(29)27-7-6-24(40)17-34(27)41/h6-7,16-17,20,22,25-26,28-29,32H,8-15,18-19,21H2,1-5H3/t26?,28-,29+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MC4 receptor				Bioorg Med Chem Lett 20: 6524-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.049 BindingDB Entry DOI: 10.7270/Q24M94SF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348579 (CHEMBL1801215) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](O)C1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348554 (CHEMBL1801095) Show SMILES CN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50329958 ((6-chloro-5-methyl-3-(2-(1-methyl-1H-1,2,4-triazol...) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H44ClF2N5O2/c1-22-15-26-29(17-31(22)37)36(18-30(26)35(2,3)34-40-21-41-42(34)4)9-11-43(12-10-36)33(45)28-20-44(24-7-13-46-14-8-24)19-27(28)25-6-5-23(38)16-32(25)39/h5-6,15-17,21,24,27-28,30H,7-14,18-20H2,1-4H3/t27-,28+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MC4 receptor				Bioorg Med Chem Lett 20: 6524-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.049 BindingDB Entry DOI: 10.7270/Q24M94SF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348574 (CHEMBL1801146) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-15-46-16-14-42)9-11-41(12-10-37)33(44)28-22-43(35(2,3)4)21-27(28)25-8-7-24(39)18-32(25)40/h7-8,17-19,27-28,30H,9-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348580 (CHEMBL1801216) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C37H48ClF2N3O3/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)42-12-9-24(44)19-42)10-13-41(14-11-37)33(45)28-21-43(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)40/h7-8,15-17,24,27-28,30,44H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323446 (2-((S)-1'-((3S,4R)-1-tert-butyl-4-(2,4-difluorophe...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C32H38ClF2N3O2/c1-19-13-22-25(15-26(19)33)32(40-28(22)31(5,6)18-36)9-11-37(12-10-32)29(39)24-17-38(30(2,3)4)16-23(24)21-8-7-20(34)14-27(21)35/h7-8,13-15,23-24,28H,9-12,16-17H2,1-6H3/t23-,24+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323456 ((S)-(6-chloro-5-methyl-3-(2-morpholinopropan-2-yl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCOCC1 |r| Show InChI InChI=1S/C36H46ClF2N3O4/c1-23-18-27-30(20-31(23)37)36(46-33(27)35(2,3)42-12-16-45-17-13-42)8-10-40(11-9-36)34(43)29-22-41(25-6-14-44-15-7-25)21-28(29)26-5-4-24(38)19-32(26)39/h4-5,18-20,25,28-29,33H,6-17,21-22H2,1-3H3/t28-,29+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348572 (CHEMBL1801144) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC1 |r| Show InChI InChI=1S/C36H46ClF2N3O2/c1-22-16-25-28(18-30(22)37)36(19-29(25)35(5,6)33(44)41-12-7-13-41)10-14-40(15-11-36)32(43)27-21-42(34(2,3)4)20-26(27)24-9-8-23(38)17-31(24)39/h8-9,16-18,26-27,29H,7,10-15,19-21H2,1-6H3/t26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348581 (CHEMBL1801217) Show SMILES CO[C@@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28+,29-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt 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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348578 (CHEMBL1801150) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@H](F)C1 |r| Show InChI InChI=1S/C37H47ClF3N3O2/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)43-12-9-24(40)19-43)10-13-42(14-11-37)33(45)28-21-44(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)41/h7-8,15-17,24,27-28,30H,9-14,18-21H2,1-6H3/t24-,27-,28+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323458 ((S)-(6-chloro-3-(2-((S)-3-hydroxypyrrolidin-1-yl)p...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CC[C@H](O)C1 |r| Show InChI InChI=1S/C36H46ClF2N3O4/c1-22-16-27-30(18-31(22)37)36(46-33(27)35(2,3)42-11-6-25(43)19-42)9-12-40(13-10-36)34(44)29-21-41(24-7-14-45-15-8-24)20-28(29)26-5-4-23(38)17-32(26)39/h4-5,16-18,24-25,28-29,33,43H,6-15,19-21H2,1-3H3/t25-,28-,29+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348577 (CHEMBL1801149) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC[C@@H](F)C1 |r| Show InChI InChI=1S/C37H47ClF3N3O2/c1-22-15-26-29(17-31(22)38)37(18-30(26)36(5,6)34(46)43-12-9-24(40)19-43)10-13-42(14-11-37)33(45)28-21-44(35(2,3)4)20-27(28)25-8-7-23(39)16-32(25)41/h7-8,15-17,24,27-28,30H,9-14,18-21H2,1-6H3/t24-,27+,28-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348575 (CHEMBL1801147) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CO2 |r| Show InChI InChI=1S/C38H48ClF2N3O3/c1-22-13-27-30(16-32(22)39)38(17-31(27)37(5,6)35(46)44-18-25-15-24(44)21-47-25)9-11-42(12-10-38)34(45)29-20-43(36(2,3)4)19-28(29)26-8-7-23(40)14-33(26)41/h7-8,13-14,16,24-25,28-29,31H,9-12,15,17-21H2,1-6H3/t24-,25-,28-,29+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323457 ((S)-(6-chloro-5-methyl-3-(2-(pyrrolidin-1-yl)propa...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCCC1 |r| Show InChI InChI=1S/C36H46ClF2N3O3/c1-23-18-27-30(20-31(23)37)36(45-33(27)35(2,3)42-12-4-5-13-42)10-14-40(15-11-36)34(43)29-22-41(25-8-16-44-17-9-25)21-28(29)26-7-6-24(38)19-32(26)39/h6-7,18-20,25,28-29,33H,4-5,8-17,21-22H2,1-3H3/t28-,29+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50329957 (((3R,4R)-1-tert-butyl-3-(2,4-difluorophenyl)piperi...) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CCN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)c1ncnn1C |r| Show InChI InChI=1S/C36H46ClF2N5O/c1-22-16-26-28(18-30(22)37)36(19-29(26)35(5,6)33-40-21-41-42(33)7)11-14-43(15-12-36)32(45)25-10-13-44(34(2,3)4)20-27(25)24-9-8-23(38)17-31(24)39/h8-9,16-18,21,25,27,29H,10-15,19-20H2,1-7H3/t25-,27+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MC4 receptor				Bioorg Med Chem Lett 20: 6524-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.049 BindingDB Entry DOI: 10.7270/Q24M94SF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348576 (CHEMBL1801148) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C37H48ClF2N3O2/c1-23-17-26-29(19-31(23)38)37(20-30(26)36(5,6)34(45)42-13-7-8-14-42)11-15-41(16-12-37)33(44)28-22-43(35(2,3)4)21-27(28)25-10-9-24(39)18-32(25)40/h9-10,17-19,27-28,30H,7-8,11-16,20-22H2,1-6H3/t27-,28+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348573 (CHEMBL1801145) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC(F)(F)C1 |r| Show InChI InChI=1S/C36H44ClF4N3O2/c1-21-13-24-27(15-29(21)37)35(16-28(24)34(5,6)32(46)43-19-36(40,41)20-43)9-11-42(12-10-35)31(45)26-18-44(33(2,3)4)17-25(26)23-8-7-22(38)14-30(23)39/h7-8,13-15,25-26,28H,9-12,16-20H2,1-6H3/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50329961 (((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrol...) Show SMILES Cc1nnc(o1)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H43ClF2N4O2/c1-20-14-24-27(16-29(20)36)35(17-28(24)34(6,7)32-40-39-21(2)44-32)10-12-41(13-11-35)31(43)26-19-42(33(3,4)5)18-25(26)23-9-8-22(37)15-30(23)38/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 Inhibition of human MC4 receptor				Bioorg Med Chem Lett 20: 6524-32 (2010) Article DOI: 10.1016/j.bmcl.2010.09.049 BindingDB Entry DOI: 10.7270/Q24M94SF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323441 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C33H38ClF2N3O3/c1-20-14-24-27(16-28(20)34)33(42-30(24)32(2,3)19-37)8-10-38(11-9-33)31(40)26-18-39(22-6-12-41-13-7-22)17-25(26)23-5-4-21(35)15-29(23)36/h4-5,14-16,22,25-26,30H,6-13,17-18H2,1-3H3/t25-,26+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348584 (CHEMBL1801214) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C37H46ClF4N3O2/c1-22-15-25-28(17-30(22)38)36(18-29(25)35(5,6)33(47)44-14-11-37(41,42)21-44)9-12-43(13-10-36)32(46)27-20-45(34(2,3)4)19-26(27)24-8-7-23(39)16-31(24)40/h7-8,15-17,26-27,29H,9-14,18-21H2,1-6H3/t26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348585 (CHEMBL1801142) Show SMILES CCN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C36H48ClF2N3O2/c1-9-40(8)33(44)35(6,7)29-19-36(28-18-30(37)22(2)16-25(28)29)12-14-41(15-13-36)32(43)27-21-42(34(3,4)5)20-26(27)24-11-10-23(38)17-31(24)39/h10-11,16-18,26-27,29H,9,12-15,19-21H2,1-8H3/t26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt 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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348560 (CHEMBL1801118) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC1CC1 |r| Show InChI InChI=1S/C36H46ClF2N3O2/c1-21-15-25-28(17-30(21)37)36(18-29(25)35(5,6)33(44)40-23-8-9-23)11-13-41(14-12-36)32(43)27-20-42(34(2,3)4)19-26(27)24-10-7-22(38)16-31(24)39/h7,10,15-17,23,26-27,29H,8-9,11-14,18-20H2,1-6H3,(H,40,44)/t26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348582 (CHEMBL1801218) Show SMILES CO[C@H]1CCN(C1)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-16-27-30(18-32(23)39)38(19-31(27)37(5,6)35(46)43-13-10-25(20-43)47-7)11-14-42(15-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-9-8-24(40)17-33(26)41/h8-9,16-18,25,28-29,31H,10-15,19-22H2,1-7H3/t25-,28-,29+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323455 ((S)-(6-chloro-3-(2-(ethylamino)propan-2-yl)-5-meth...) Show SMILES CCNC(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O3/c1-5-38-33(3,4)31-25-16-21(2)29(35)18-28(25)34(43-31)10-12-39(13-11-34)32(41)27-20-40(23-8-14-42-15-9-23)19-26(27)24-7-6-22(36)17-30(24)37/h6-7,16-18,23,26-27,31,38H,5,8-15,19-20H2,1-4H3/t26-,27+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323453 ((S)-(6-chloro-3-(2-(dimethylamino)propan-2-yl)-5-m...) Show SMILES CN(C)C(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O3/c1-21-16-25-28(18-29(21)35)34(43-31(25)33(2,3)38(4)5)10-12-39(13-11-34)32(41)27-20-40(23-8-14-42-15-9-23)19-26(27)24-7-6-22(36)17-30(24)37/h6-7,16-18,23,26-27,31H,8-15,19-20H2,1-5H3/t26-,27+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323459 ((S)-(6-chloro-3-(2-(3,3-difluoropyrrolidin-1-yl)pr...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C36H44ClF4N3O3/c1-22-16-26-29(18-30(22)37)35(47-32(26)34(2,3)44-13-10-36(40,41)21-44)8-11-42(12-9-35)33(45)28-20-43(24-6-14-46-15-7-24)19-27(28)25-5-4-23(38)17-31(25)39/h4-5,16-18,24,27-28,32H,6-15,19-21H2,1-3H3/t27-,28+,32-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348569 (CHEMBL1801127) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC1CCOCC1 |r| Show InChI InChI=1S/C38H50ClF2N3O3/c1-23-17-27-30(19-32(23)39)38(20-31(27)37(5,6)35(46)42-25-9-15-47-16-10-25)11-13-43(14-12-38)34(45)29-22-44(36(2,3)4)21-28(29)26-8-7-24(40)18-33(26)41/h7-8,17-19,25,28-29,31H,9-16,20-22H2,1-6H3,(H,42,46)/t28-,29+,31-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348553 (CHEMBL1801093) Show SMILES CN(C(C)=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-21-15-25-28(17-30(21)36)35(18-29(25)34(6,7)39(8)22(2)42)11-13-40(14-12-35)32(43)27-20-41(33(3,4)5)19-26(27)24-10-9-23(37)16-31(24)38/h9-10,15-17,26-27,29H,11-14,18-20H2,1-8H3/t26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348556 (CHEMBL1801097) Show SMILES CNC(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-23-26(16-28(20)35)34(17-27(23)33(5,6)31(42)38-7)10-12-39(13-11-34)30(41)25-19-40(32(2,3)4)18-24(25)22-9-8-21(36)15-29(22)37/h8-9,14-16,24-25,27H,10-13,17-19H2,1-7H3,(H,38,42)/t24-,25+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348571 (CHEMBL1801143) Show SMILES CCN(CC)C(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C37H50ClF2N3O2/c1-9-41(10-2)34(45)36(7,8)30-20-37(29-19-31(38)23(3)17-26(29)30)13-15-42(16-14-37)33(44)28-22-43(35(4,5)6)21-27(28)25-12-11-24(39)18-32(25)40/h11-12,17-19,27-28,30H,9-10,13-16,20-22H2,1-8H3/t27-,28+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348568 (CHEMBL1801126) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCCO |r| Show InChI InChI=1S/C35H46ClF2N3O3/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)39-11-14-42)9-12-40(13-10-35)31(43)26-20-41(33(2,3)4)19-25(26)23-8-7-22(37)16-30(23)38/h7-8,15-17,25-26,28,42H,9-14,18-20H2,1-6H3,(H,39,44)/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348565 (CHEMBL1801123) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCCF |r| Show InChI InChI=1S/C35H45ClF3N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(44)40-12-11-37)9-13-41(14-10-35)31(43)26-20-42(33(2,3)4)19-25(26)23-8-7-22(38)16-30(23)39/h7-8,15-17,25-26,28H,9-14,18-20H2,1-6H3,(H,40,44)/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323440 (2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...) Show SMILES Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)CO)c2cc1Cl)C(C)(C)C#N |r| Show InChI InChI=1S/C32H38ClF2N3O3/c1-19-12-22-25(14-26(19)33)32(41-28(22)30(2,3)17-36)8-10-37(11-9-32)29(40)24-16-38(31(4,5)18-39)15-23(24)21-7-6-20(34)13-27(21)35/h6-7,12-14,23-24,28,39H,8-11,15-16,18H2,1-5H3/t23-,24+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348558 (CHEMBL1801116) Show SMILES CCNC(=O)C(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C35H46ClF2N3O2/c1-8-39-32(43)34(6,7)28-18-35(27-17-29(36)21(2)15-24(27)28)11-13-40(14-12-35)31(42)26-20-41(33(3,4)5)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,8,11-14,18-20H2,1-7H3,(H,39,43)/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50323454 ((S)-(6-chloro-5-methyl-3-(2-(methylamino)propan-2-...) Show SMILES CNC(C)(C)[C@H]1OC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C2CCOCC2)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C33H42ClF2N3O3/c1-20-15-24-27(17-28(20)34)33(42-30(24)32(2,3)37-4)9-11-38(12-10-33)31(40)26-19-39(22-7-13-41-14-8-22)18-25(26)23-6-5-21(35)16-29(23)36/h5-6,15-17,22,25-26,30,37H,7-14,18-19H2,1-4H3/t25-,26+,30-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4895-900 (2010) Article DOI: 10.1016/j.bmcl.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB172P
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348570 (CHEMBL1801141) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NC(C)(C)CO |r| Show InChI InChI=1S/C37H50ClF2N3O3/c1-22-15-25-28(17-30(22)38)37(18-29(25)36(7,8)33(46)41-35(5,6)21-44)11-13-42(14-12-37)32(45)27-20-43(34(2,3)4)19-26(27)24-10-9-23(39)16-31(24)40/h9-10,15-17,26-27,29,44H,11-14,18-21H2,1-8H3,(H,41,46)/t26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells				Bioorg Med Chem Lett 20: 2106-10 (2010) Article DOI: 10.1016/j.bmcl.2010.02.058 BindingDB Entry DOI: 10.7270/Q2QC03NP
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50314765 (CHEMBL1093305 | trans-N-(2-((S)-1'-((3S,4R)-1-tert...) Show SMILES CC(=O)NC(C)(C)[C@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r| Show InChI InChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50021344 (CHEMBL3287929) Show SMILES Clc1ccc(Sc2cn(nc2-c2ccc(cc2)-c2ncon2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H14ClN5OS/c23-17-7-9-19(10-8-17)30-20-13-28(18-2-1-11-24-12-18)26-21(20)15-3-5-16(6-4-15)22-25-14-29-27-22/h1-14H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rat FAAH lysate using AMCAA as substrate by fluorescence assay				ACS Med Chem Lett 5: 717-21 (2014) Article DOI: 10.1021/ml5001239 BindingDB Entry DOI: 10.7270/Q2JQ12KN
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50348567 (CHEMBL1801125) Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C35H43ClF5N3O2/c1-20-13-23-26(15-28(20)36)34(16-27(23)33(5,6)31(46)42-19-35(39,40)41)9-11-43(12-10-34)30(45)25-18-44(32(2,3)4)17-24(25)22-8-7-21(37)14-29(22)38/h7-8,13-15,24-25,27H,9-12,16-19H2,1-6H3,(H,42,46)/t24-,25+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting				Bioorg Med Chem Lett 20: 4399-405 (2010) Article DOI: 10.1016/j.bmcl.2010.06.062 BindingDB Entry DOI: 10.7270/Q23F4Q07
					More data for this Ligand-Target Pair

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