Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50037383   

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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50157314 ((S)-4-Methyl-piperazine-2-carboxylic acid [(R)-2-(...) Show SMILES CN1CCN[C@@H](C1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C31H48FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 15: 171-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.020 BindingDB Entry DOI: 10.7270/Q2G44R2V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027107 (CHEMBL2145455) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CN1CCN[C@@H](C1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C34H54FN5O3/c1-24(2)22-39-20-17-36-29(23-39)30(41)37-28(21-25-11-13-27(35)14-12-25)31(42)40-18-15-34(16-19-40,26-9-7-6-8-10-26)32(43)38-33(3,4)5/h11-14,24,26,28-29,36H,6-10,15-23H2,1-5H3,(H,37,41)(H,38,43)/t28-,29+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 15: 171-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.020 BindingDB Entry DOI: 10.7270/Q2G44R2V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027131 (CHEMBL2145454) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CN(CC(F)F)CCN1)C1CCCCC1 Show InChI InChI=1S/C32H48F3N5O3/c1-31(2,3)38-30(43)32(23-7-5-4-6-8-23)13-16-40(17-14-32)29(42)25(19-22-9-11-24(33)12-10-22)37-28(41)26-20-39(18-15-36-26)21-27(34)35/h9-12,23,25-27,36H,4-8,13-21H2,1-3H3,(H,37,41)(H,38,43)/t25-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 15: 171-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.020 BindingDB Entry DOI: 10.7270/Q2G44R2V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027156 (CHEMBL2145456) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](N)C(=O)N1CCN[C@@H](C1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C Show InChI InChI=1S/C33H51FN6O4/c1-22(35)29(42)40-19-16-36-27(21-40)28(41)37-26(20-23-10-12-25(34)13-11-23)30(43)39-17-14-33(15-18-39,24-8-6-5-7-9-24)31(44)38-32(2,3)4/h10-13,22,24,26-27,36H,5-9,14-21,35H2,1-4H3,(H,37,41)(H,38,44)/t22-,26+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 15: 171-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.020 BindingDB Entry DOI: 10.7270/Q2G44R2V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027108 (CHEMBL3216179) Show SMILES Cl.Cl.CN1CCN[C@H](C1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C31H48FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t25-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 15: 171-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.020 BindingDB Entry DOI: 10.7270/Q2G44R2V
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027155 (CHEMBL3215542) Show SMILES Cl.Cl.CN1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C31H48FN5O3/c1-30(2,3)35-29(40)31(23-8-6-5-7-9-23)14-17-37(18-15-31)28(39)25(20-22-10-12-24(32)13-11-22)34-27(38)26-21-36(4)19-16-33-26/h10-13,23,25-26,33H,5-9,14-21H2,1-4H3,(H,34,38)(H,35,40)/t25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration for 50% inhibition of human melanocortin-4 receptor expressed in CHO cells using [125I]NDP-alpha-MSH as radioligand				Bioorg Med Chem Lett 15: 171-5 (2004) Article DOI: 10.1016/j.bmcl.2004.10.020 BindingDB Entry DOI: 10.7270/Q2G44R2V
					More data for this Ligand-Target Pair