Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1511.7 BDBM50131875

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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 3 (Homo sapiens (Human))	BDBM50131875 (Ac-c[Pen-Glu-His-D-Phe-Arg-Trp-Cys]-Pro-Pro-Lys-As...) Show SMILES CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C70H98N18O16S2/c1-39(89)60-67(103)82-47(22-23-58(93)94)63(99)85-51(30-42-33-75-38-80-42)66(102)83-49(28-40-14-5-4-6-15-40)64(100)81-46(19-11-25-76-69(73)74)62(98)84-50(29-41-32-77-44-17-8-7-16-43(41)44)65(101)86-52(37-105-106-70(60,2)3)68(104)88-27-13-21-54(88)57(92)36-87-26-12-20-53(87)56(91)35-78-45(18-9-10-24-71)55(90)34-79-48(61(72)97)31-59(95)96/h4-8,14-17,32-33,38,45-54,60,77-79H,9-13,18-31,34-37,71H2,1-3H3,(H2,72,97)(H,75,80)(H,81,100)(H,82,103)(H,83,102)(H,84,98)(H,85,99)(H,86,101)(H,93,94)(H,95,96)(H4,73,74,76)/t45-,46-,47+,48-,49-,50+,51-,52?,53-,54-,60?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of human Melanocortin 3 receptor				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50131875 (Ac-c[Pen-Glu-His-D-Phe-Arg-Trp-Cys]-Pro-Pro-Lys-As...) Show SMILES CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C70H98N18O16S2/c1-39(89)60-67(103)82-47(22-23-58(93)94)63(99)85-51(30-42-33-75-38-80-42)66(102)83-49(28-40-14-5-4-6-15-40)64(100)81-46(19-11-25-76-69(73)74)62(98)84-50(29-41-32-77-44-17-8-7-16-43(41)44)65(101)86-52(37-105-106-70(60,2)3)68(104)88-27-13-21-54(88)57(92)36-87-26-12-20-53(87)56(91)35-78-45(18-9-10-24-71)55(90)34-79-48(61(72)97)31-59(95)96/h4-8,14-17,32-33,38,45-54,60,77-79H,9-13,18-31,34-37,71H2,1-3H3,(H2,72,97)(H,75,80)(H,81,100)(H,82,103)(H,83,102)(H,84,98)(H,85,99)(H,86,101)(H,93,94)(H,95,96)(H4,73,74,76)/t45-,46-,47+,48-,49-,50+,51-,52?,53-,54-,60?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of human melanocortin 4 receptor				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50131875 (Ac-c[Pen-Glu-His-D-Phe-Arg-Trp-Cys]-Pro-Pro-Lys-As...) Show SMILES CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C70H98N18O16S2/c1-39(89)60-67(103)82-47(22-23-58(93)94)63(99)85-51(30-42-33-75-38-80-42)66(102)83-49(28-40-14-5-4-6-15-40)64(100)81-46(19-11-25-76-69(73)74)62(98)84-50(29-41-32-77-44-17-8-7-16-43(41)44)65(101)86-52(37-105-106-70(60,2)3)68(104)88-27-13-21-54(88)57(92)36-87-26-12-20-53(87)56(91)35-78-45(18-9-10-24-71)55(90)34-79-48(61(72)97)31-59(95)96/h4-8,14-17,32-33,38,45-54,60,77-79H,9-13,18-31,34-37,71H2,1-3H3,(H2,72,97)(H,75,80)(H,81,100)(H,82,103)(H,83,102)(H,84,98)(H,85,99)(H,86,101)(H,93,94)(H,95,96)(H4,73,74,76)/t45-,46-,47+,48-,49-,50+,51-,52?,53-,54-,60?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of human melanocortin 5 receptor				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50131875 (Ac-c[Pen-Glu-His-D-Phe-Arg-Trp-Cys]-Pro-Pro-Lys-As...) Show SMILES CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C70H98N18O16S2/c1-39(89)60-67(103)82-47(22-23-58(93)94)63(99)85-51(30-42-33-75-38-80-42)66(102)83-49(28-40-14-5-4-6-15-40)64(100)81-46(19-11-25-76-69(73)74)62(98)84-50(29-41-32-77-44-17-8-7-16-43(41)44)65(101)86-52(37-105-106-70(60,2)3)68(104)88-27-13-21-54(88)57(92)36-87-26-12-20-53(87)56(91)35-78-45(18-9-10-24-71)55(90)34-79-48(61(72)97)31-59(95)96/h4-8,14-17,32-33,38,45-54,60,77-79H,9-13,18-31,34-37,71H2,1-3H3,(H2,72,97)(H,75,80)(H,81,100)(H,82,103)(H,83,102)(H,84,98)(H,85,99)(H,86,101)(H,93,94)(H,95,96)(H4,73,74,76)/t45-,46-,47+,48-,49-,50+,51-,52?,53-,54-,60?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Effective concentration of peptide at 50% maximal cAMP generation				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50131875 (Ac-c[Pen-Glu-His-D-Phe-Arg-Trp-Cys]-Pro-Pro-Lys-As...) Show SMILES CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C70H98N18O16S2/c1-39(89)60-67(103)82-47(22-23-58(93)94)63(99)85-51(30-42-33-75-38-80-42)66(102)83-49(28-40-14-5-4-6-15-40)64(100)81-46(19-11-25-76-69(73)74)62(98)84-50(29-41-32-77-44-17-8-7-16-43(41)44)65(101)86-52(37-105-106-70(60,2)3)68(104)88-27-13-21-54(88)57(92)36-87-26-12-20-53(87)56(91)35-78-45(18-9-10-24-71)55(90)34-79-48(61(72)97)31-59(95)96/h4-8,14-17,32-33,38,45-54,60,77-79H,9-13,18-31,34-37,71H2,1-3H3,(H2,72,97)(H,75,80)(H,81,100)(H,82,103)(H,83,102)(H,84,98)(H,85,99)(H,86,101)(H,93,94)(H,95,96)(H4,73,74,76)/t45-,46-,47+,48-,49-,50+,51-,52?,53-,54-,60?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Effective concentration of peptide at 50% maximal cAMP generation				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50131875 (Ac-c[Pen-Glu-His-D-Phe-Arg-Trp-Cys]-Pro-Pro-Lys-As...) Show SMILES CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C70H98N18O16S2/c1-39(89)60-67(103)82-47(22-23-58(93)94)63(99)85-51(30-42-33-75-38-80-42)66(102)83-49(28-40-14-5-4-6-15-40)64(100)81-46(19-11-25-76-69(73)74)62(98)84-50(29-41-32-77-44-17-8-7-16-43(41)44)65(101)86-52(37-105-106-70(60,2)3)68(104)88-27-13-21-54(88)57(92)36-87-26-12-20-53(87)56(91)35-78-45(18-9-10-24-71)55(90)34-79-48(61(72)97)31-59(95)96/h4-8,14-17,32-33,38,45-54,60,77-79H,9-13,18-31,34-37,71H2,1-3H3,(H2,72,97)(H,75,80)(H,81,100)(H,82,103)(H,83,102)(H,84,98)(H,85,99)(H,86,101)(H,93,94)(H,95,96)(H4,73,74,76)/t45-,46-,47+,48-,49-,50+,51-,52?,53-,54-,60?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Effective concentration of peptide at 50% maximal cAMP generation				J Med Chem 46: 3728-33 (2003) Article DOI: 10.1021/jm030111j BindingDB Entry DOI: 10.7270/Q2125TDT
					More data for this Ligand-Target Pair