BDBM50105881 5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-naphthalen-2-ylmethyl-3,6,9,14-tetraoxo-1,4,7,10tetraaza-cyclopentadecane-11-carboxylic acid amide::CHEMBL332762

SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O

InChI Key: InChIKey=PARQAANEDSREBR-YXOGWZJSSA-N

Data: 3 KI

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 3 hits for monomerid = 50105881   

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))	BDBM50105881 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C36H43N9O5/c37-32(47)28-14-13-25(46)20-42-30(17-21-11-12-22-6-1-2-7-23(22)16-21)34(49)44-29(10-5-15-40-36(38)39)33(48)45-31(35(50)43-28)18-24-19-41-27-9-4-3-8-26(24)27/h1-4,6-9,11-12,16,19,28-31,41-42H,5,10,13-15,17-18,20H2,(H2,37,47)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t28-,29+,30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	960	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 5 (MC5R) (Homo sapiens (Human))	BDBM50105881 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C36H43N9O5/c37-32(47)28-14-13-25(46)20-42-30(17-21-11-12-22-6-1-2-7-23(22)16-21)34(49)44-29(10-5-15-40-36(38)39)33(48)45-31(35(50)43-28)18-24-19-41-27-9-4-3-8-26(24)27/h1-4,6-9,11-12,16,19,28-31,41-42H,5,10,13-15,17-18,20H2,(H2,37,47)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t28-,29+,30-,31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+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 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 3 (Homo sapiens (Human))	BDBM50105881 (5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...) Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O Show InChI InChI=1S/C36H43N9O5/c37-32(47)28-14-13-25(46)20-42-30(17-21-11-12-22-6-1-2-7-23(22)16-21)34(49)44-29(10-5-15-40-36(38)39)33(48)45-31(35(50)43-28)18-24-19-41-27-9-4-3-8-26(24)27/h1-4,6-9,11-12,16,19,28-31,41-42H,5,10,13-15,17-18,20H2,(H2,37,47)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t28-,29+,30-,31-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90E+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 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