Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'farrer' and Initial = 'c'   

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))	BDBM50182065 (CHEMBL205996 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCCCC1 |w:23.25| Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-13-11-20(27)18-19(24)10-12-21-22(8-7-9-23(21)28)25(33)31-26(29)30-14-3-6-17-32-15-4-2-5-16-32/h7-9,11,13,18H,2-6,10,12,14-17H2,1H3,(H3,29,30,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182064 (CHEMBL383117 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C26H36BrClN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182072 (CHEMBL205594 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN1CCC(CN=C(N)NC(=O)c2cccc(F)c2CCc2cc(Br)ccc2OC)CC1 |w:7.6| Show InChI InChI=1S/C25H32BrFN4O2/c1-3-31-13-11-17(12-14-31)16-29-25(28)30-24(32)21-5-4-6-22(27)20(21)9-7-18-15-19(26)8-10-23(18)33-2/h4-6,8,10,15,17H,3,7,9,11-14,16H2,1-2H3,(H3,28,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182077 (CHEMBL207946 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCCCC1 |w:23.25| Show InChI InChI=1S/C25H32BrFN4O2/c1-33-23-12-10-19(26)17-18(23)9-11-20-21(7-5-8-22(20)27)24(32)30-25(28)29-13-6-16-31-14-3-2-4-15-31/h5,7-8,10,12,17H,2-4,6,9,11,13-16H2,1H3,(H3,28,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182073 (CHEMBL205468 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C26H36BrFN4O2/c1-5-32(6-2)16-8-9-18(3)30-26(29)31-25(33)22-10-7-11-23(28)21(22)14-12-19-17-20(27)13-15-24(19)34-4/h7,10-11,13,15,17-18H,5-6,8-9,12,14,16H2,1-4H3,(H3,29,30,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182083 (CHEMBL380854 | N-[4-(benzyl-methyl-amino)-butyl]-N...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1ccccc1 |w:23.25| Show InChI InChI=1S/C29H34BrFN4O2/c1-35(20-21-9-4-3-5-10-21)18-7-6-17-33-29(32)34-28(36)25-11-8-12-26(31)24(25)15-13-22-19-23(30)14-16-27(22)37-2/h3-5,8-12,14,16,19H,6-7,13,15,17-18,20H2,1-2H3,(H3,32,33,34,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182068 (CHEMBL208376 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C24H35BrN4O2S/c1-5-29(6-2)14-7-8-17(3)27-24(26)28-23(30)20-13-15-32-22(20)12-9-18-16-19(25)10-11-21(18)31-4/h10-11,13,15-17H,5-9,12,14H2,1-4H3,(H3,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182067 (CHEMBL439158 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC1CCNCC1 |w:23.25| Show InChI InChI=1S/C23H28BrFN4O2/c1-31-21-8-6-17(24)13-16(21)5-7-18-19(3-2-4-20(18)25)22(30)29-23(26)28-14-15-9-11-27-12-10-15/h2-4,6,8,13,15,27H,5,7,9-12,14H2,1H3,(H3,26,28,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182078 (CHEMBL382833 | N-(4-diethylamino-1-methyl-butyl)-N...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(OC)cc(OC)c1 |w:10.9| Show InChI InChI=1S/C27H39FN4O3/c1-6-32(7-2)15-9-10-19(3)30-27(29)31-26(33)24-11-8-12-25(28)23(24)14-13-20-16-21(34-4)18-22(17-20)35-5/h8,11-12,16-19H,6-7,9-10,13-15H2,1-5H3,(H3,29,30,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182076 (CHEMBL383120 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCC2CCCCC2C1 |w:23.25| Show InChI InChI=1S/C30H40BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h6,9-10,12,14,19,21,23H,2-5,7-8,11,13,15-18,20H2,1H3,(H3,33,34,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182062 (CHEMBL205214 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN1CCc2ccccc2C1 |w:23.25| Show InChI InChI=1S/C30H34BrFN4O2/c1-38-28-14-12-24(31)19-22(28)11-13-25-26(9-6-10-27(25)32)29(37)35-30(33)34-16-4-5-17-36-18-15-21-7-2-3-8-23(21)20-36/h2-3,6-10,12,14,19H,4-5,11,13,15-18,20H2,1H3,(H3,33,34,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142891 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCN1 |t:19| Show InChI InChI=1S/C18H19BrN2O/c1-22-17-9-8-15(19)12-14(17)7-6-13-4-2-3-5-16(13)18-20-10-11-21-18/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182060 (CHEMBL204670 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCCN(C)Cc1cccc2ccccc12 |w:23.25| Show InChI InChI=1S/C33H36BrFN4O2/c1-39(22-25-11-7-10-23-9-3-4-12-27(23)25)20-6-5-19-37-33(36)38-32(40)29-13-8-14-30(35)28(29)17-15-24-21-26(34)16-18-31(24)41-2/h3-4,7-14,16,18,21H,5-6,15,17,19-20,22H2,1-2H3,(H3,36,37,38,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182080 (CHEMBL206316 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCN1CCN(C)CC1 |w:23.25| Show InChI InChI=1S/C25H33BrFN5O2/c1-31-13-15-32(16-14-31)12-4-11-29-25(28)30-24(33)21-5-3-6-22(27)20(21)9-7-18-17-19(26)8-10-23(18)34-2/h3,5-6,8,10,17H,4,7,9,11-16H2,1-2H3,(H3,28,29,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142894 (2-[2-(5-Bromo-2-methoxy-benzylsulfanyl)-phenyl]-1,...) Show SMILES COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1 |t:19| Show InChI InChI=1S/C18H19BrN2OS/c1-22-16-8-7-14(19)11-13(16)12-23-17-6-3-2-5-15(17)18-20-9-4-10-21-18/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182058 (CHEMBL206141 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCCNC1CCCCC1 |w:23.25| Show InChI InChI=1S/C26H34BrFN4O2/c1-34-24-14-12-19(27)17-18(24)11-13-21-22(9-5-10-23(21)28)25(33)32-26(29)31-16-6-15-30-20-7-3-2-4-8-20/h5,9-10,12,14,17,20,30H,2-4,6-8,11,13,15-16H2,1H3,(H3,29,31,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182070 (CHEMBL205553 | N-(4-diethylamino-1-methyl-butyl)-N...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cccc2ccccc12 |w:10.9| Show InChI InChI=1S/C29H37FN4O/c1-4-34(5-2)20-10-11-21(3)32-29(31)33-28(35)26-16-9-17-27(30)25(26)19-18-23-14-8-13-22-12-6-7-15-24(22)23/h6-9,12-17,21H,4-5,10-11,18-20H2,1-3H3,(H3,31,32,33,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182074 (CHEMBL206367 | N-{2-[2-(5-bromo-2-chloro-phenyl)-e...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1Cl |w:10.9| Show InChI InChI=1S/C25H33BrClFN4O/c1-4-32(5-2)15-7-8-17(3)30-25(29)31-24(33)21-9-6-10-23(28)20(21)13-11-18-16-19(26)12-14-22(18)27/h6,9-10,12,14,16-17H,4-5,7-8,11,13,15H2,1-3H3,(H3,29,30,31,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142895 (2-(2-(5-bromo-2-methoxyphenethyl)-3-fluorophenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCN1 |t:20| Show InChI InChI=1S/C18H18BrFN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182061 (CHEMBL208268 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCN1CCCC1 |w:23.25| Show InChI InChI=1S/C23H28BrFN4O2/c1-31-21-10-8-17(24)15-16(21)7-9-18-19(5-4-6-20(18)25)22(30)28-23(26)27-11-14-29-12-2-3-13-29/h4-6,8,10,15H,2-3,7,9,11-14H2,1H3,(H3,26,27,28,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142897 (2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...) Show SMILES COc1ccc(Br)cc1CCc1ccccc1C1=NCCCN1 |t:19| Show InChI InChI=1S/C19H21BrN2O/c1-23-18-10-9-16(20)13-15(18)8-7-14-5-2-3-6-17(14)19-21-11-4-12-22-19/h2-3,5-6,9-10,13H,4,7-8,11-12H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182063 (CHEMBL379918 | N-(4-diethylamino-1-methyl-butyl)-N...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccc2ccccc2c1 |w:10.9| Show InChI InChI=1S/C29H37FN4O/c1-4-34(5-2)19-9-10-21(3)32-29(31)33-28(35)26-13-8-14-27(30)25(26)18-16-22-15-17-23-11-6-7-12-24(23)20-22/h6-8,11-15,17,20-21H,4-5,9-10,16,18-19H2,1-3H3,(H3,31,32,33,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182069 (CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182075 (CHEMBL208366 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCC(C)C |w:23.25| Show InChI InChI=1S/C21H25BrFN3O2/c1-13(2)12-25-21(24)26-20(27)17-5-4-6-18(23)16(17)9-7-14-11-15(22)8-10-19(14)28-3/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H3,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50182085 (2-(2-(5-bromo-2-methoxyphenethyl)-3-chlorophenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1 |t:20| Show InChI InChI=1S/C18H18BrClN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182081 (CHEMBL205461 | N-[2-(5-bromo-2-methoxy-benzyloxy)-...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1OCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C25H34BrFN4O3/c1-5-31(6-2)14-8-9-17(3)29-25(28)30-24(32)20-10-7-11-21(27)23(20)34-16-18-15-19(26)12-13-22(18)33-4/h7,10-13,15,17H,5-6,8-9,14,16H2,1-4H3,(H3,28,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182066 (CHEMBL205552 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCCCN=C(N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC |w:4.3| Show InChI InChI=1S/C21H25BrFN3O2/c1-3-4-12-25-21(24)26-20(27)17-6-5-7-18(23)16(17)10-8-14-13-15(22)9-11-19(14)28-2/h5-7,9,11,13H,3-4,8,10,12H2,1-2H3,(H3,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142893 (2-[2-(2,5-Dichloro-thiophen-3-ylmethylsulfanyl)-ph...) Show SMILES Clc1cc(CSc2ccccc2C2=NCCCN2)c(Cl)s1 |t:13| Show InChI InChI=1S/C15H14Cl2N2S2/c16-13-8-10(14(17)21-13)9-20-12-5-2-1-4-11(12)15-18-6-3-7-19-15/h1-2,4-5,8H,3,6-7,9H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182071 (CHEMBL205898 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN(CC)CCCC(C)N=C(NC(C)C)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C29H42BrFN4O2/c1-7-35(8-2)18-10-11-21(5)33-29(32-20(3)4)34-28(36)25-12-9-13-26(31)24(25)16-14-22-19-23(30)15-17-27(22)37-6/h9,12-13,15,17,19-21H,7-8,10-11,14,16,18H2,1-6H3,(H2,32,33,34,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182079 (CHEMBL208367 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)NC(N)=NCCC1CCCCC1 |w:23.25| Show InChI InChI=1S/C25H31BrFN3O2/c1-32-23-13-11-19(26)16-18(23)10-12-20-21(8-5-9-22(20)27)24(31)30-25(28)29-15-14-17-6-3-2-4-7-17/h5,8-9,11,13,16-17H,2-4,6-7,10,12,14-15H2,1H3,(H3,28,29,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142896 (2-[2-(2-Chloro-6-fluoro-benzylsulfanyl)-phenyl]-1,...) Show SMILES Fc1cccc(Cl)c1CSc1ccccc1C1=NCCCN1 |t:18| Show InChI InChI=1S/C17H16ClFN2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50182069 (CHEMBL413931 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)NC(N)=N Show InChI InChI=1S/C17H17BrClN3O2/c1-24-15-8-6-11(18)9-10(15)5-7-12-13(3-2-4-14(12)19)16(23)22-17(20)21/h2-4,6,8-9H,5,7H2,1H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to hERG				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182082 (CHEMBL208329 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN(CC)CCCC(C)N=C(NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)Nc1ccccc1 |w:10.9| Show InChI InChI=1S/C32H40BrFN4O2/c1-5-38(6-2)21-11-12-23(3)35-32(36-26-13-8-7-9-14-26)37-31(39)28-15-10-16-29(34)27(28)19-17-24-22-25(33)18-20-30(24)40-4/h7-10,13-16,18,20,22-23H,5-6,11-12,17,19,21H2,1-4H3,(H2,35,36,37,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182084 (CHEMBL381085 | N-{2-[2-(5-bromo-2-methoxy-phenyl)-...) Show SMILES CCN(CC)CCCC(C)N=C(NC)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC |w:10.9| Show InChI InChI=1S/C27H38BrFN4O2/c1-6-33(7-2)17-9-10-19(3)31-27(30-4)32-26(34)23-11-8-12-24(29)22(23)15-13-20-18-21(28)14-16-25(20)35-5/h8,11-12,14,16,18-19H,6-7,9-10,13,15,17H2,1-5H3,(H2,30,31,32,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50142892 (2-[2-(2,6-Difluoro-benzylsulfanyl)-phenyl]-1,4,5,6...) Show SMILES Fc1cccc(F)c1CSc1ccccc1C1=NCCCN1 |t:18| Show InChI InChI=1S/C17H16F2N2S/c18-14-6-3-7-15(19)13(14)11-22-16-8-2-1-5-12(16)17-20-9-4-10-21-17/h1-3,5-8H,4,9-11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonistic activity of the compound was determined against mice melanocortin 4 receptor using [125I]-[NDP]-R-MSH as radioligand in a membranefiltra...				J Med Chem 47: 1602-4 (2004) Article DOI: 10.1021/jm034244g BindingDB Entry DOI: 10.7270/Q2JQ10GG
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50182059 (CHEMBL205813 | N-{2-[2-(2-chloro-phenyl)-ethyl]-3-...) Show SMILES CCN(CC)CCCC(C)N=C(N)NC(=O)c1cccc(F)c1CCc1ccccc1Cl |w:10.9| Show InChI InChI=1S/C25H34ClFN4O/c1-4-31(5-2)17-9-10-18(3)29-25(28)30-24(32)21-12-8-14-23(27)20(21)16-15-19-11-6-7-13-22(19)26/h6-8,11-14,18H,4-5,9-10,15-17H2,1-3H3,(H3,28,29,30,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to MC4R by membrane filtration assay				Bioorg Med Chem Lett 16: 2302-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.016 BindingDB Entry DOI: 10.7270/Q2PV6JZW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl1				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RET				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of DDR2				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339615 ((2S)-7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-y...) Show SMILES CN(C)Cc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H31F3N4O3/c1-37(2)17-18-11-23(30(31,32)33)15-24(12-18)35-29(39)21-6-3-19-7-8-25(14-22(19)13-21)40-26-9-10-34-27(16-26)36-28(38)20-4-5-20/h7-12,14-16,20-21H,3-6,13,17H2,1-2H3,(H,35,39)(H,34,36,38)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50339608 (3-(1-Amino-1-methylethyl)-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-28(2,33)19-11-18(12-20(15-19)29(30,31)32)27(38)35-21-5-3-16-4-6-22(14-17(16)13-21)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h4,6,9-12,14-15,21H,3,5,7-8,13,33H2,1-2H3,(H,35,38)(H,34,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type B-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339613 ((2S)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...) Show SMILES NCc1cc(NC(=O)[C@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339616 (7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy...) Show SMILES CC(C)NCc1cc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)36-17-19-11-24(31(32,33)34)15-25(12-19)37-30(40)22-6-3-20-7-8-26(14-23(20)13-22)41-27-9-10-35-28(16-27)38-29(39)21-4-5-21/h7-12,14-16,18,21-22,36H,3-6,13,17H2,1-2H3,(H,37,40)(H,35,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50339609 (3-[(Dimethylamino)methyl]-N-{(2R)-7-[(7-oxo-5,6,7,...) Show SMILES CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r| Show InChI InChI=1S/C29H29F3N4O3/c1-36(2)16-17-11-20(13-21(12-17)29(30,31)32)28(38)34-22-5-3-18-4-6-23(15-19(18)14-22)39-25-9-10-33-27-24(25)7-8-26(37)35-27/h4,6,9-13,15,22H,3,5,7-8,14,16H2,1-2H3,(H,34,38)(H,33,35,37)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild-type B-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339611 ((2S)-7-{[2-(acetylamino)pyridin-4-yl]oxy}-N-[3-(am...) Show SMILES CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)C(=O)Nc2cc(CN)cc(c2)C(F)(F)F)ccn1 |r| Show InChI InChI=1S/C26H25F3N4O3/c1-15(34)32-24-13-23(6-7-31-24)36-22-5-4-17-2-3-18(10-19(17)11-22)25(35)33-21-9-16(14-30)8-20(12-21)26(27,28)29/h4-9,11-13,18H,2-3,10,14,30H2,1H3,(H,33,35)(H,31,32,34)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB MMDB NCI pathway 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 Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50339614 ((2R)-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]...) Show SMILES NCc1cc(NC(=O)[C@@H]2CCc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)cc3C2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O3/c29-28(30,31)21-9-16(15-32)10-22(13-21)34-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-33-25(14-24)35-26(36)18-2-3-18/h5-10,12-14,18-19H,1-4,11,15,32H2,(H,34,37)(H,33,35,36)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of C-Raf assessed as reduction in [33P]ATP incorporation into biotinylated substrate peptide after 3 hrs by flash plate assay				J Med Chem 54: 1836-46 (2011) Article DOI: 10.1021/jm101479y BindingDB Entry DOI: 10.7270/Q2DB824F
					More data for this Ligand-Target Pair

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