BDBM50105888 6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-naphthalen-2-ylmethyl-2,5,8,11,14-pentaoxo-1,4,7,10,15pentaaza-cycloicosane-20-carboxylic acid::CHEMBL123938

SMILES: NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1

InChI Key: InChIKey=SVNSNKFQLBXSEH-ISSPZXTRSA-N

Data: 3 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50105888   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50105888 (6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...) Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding)				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50105888 (6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...) Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding)				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50105888 (6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...) Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding)				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50105888 (6-(3-Guanidino-propyl)-3-(1H-indol-3-ylmethyl)-9-n...) Show SMILES NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1 Show InChI InChI=1S/C40H51N11O6/c41-40(42)45-19-7-13-30-36(54)50-33(22-27-23-46-29-11-4-3-10-28(27)29)38(56)49-31(39(57)51-43)12-5-6-18-44-34(52)16-17-35(53)47-32(37(55)48-30)21-24-14-15-25-8-1-2-9-26(25)20-24/h1-4,8-11,14-15,20,23,30-33,46H,5-7,12-13,16-19,21-22,43H2,(H,44,52)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,51,57)(H4,41,42,45)/t30-,31+,32-,33+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5.				J Med Chem 44: 3665-72 (2001) BindingDB Entry DOI: 10.7270/Q2RF5T9S
					More data for this Ligand-Target Pair