BDBM50121258 9-(2-Acetylamino-hexanoylamino)-23-[3-(diaminomethaniminium)-propyl]-20-(1H-indol-3-ylmethyl)-26-naphthalen-2-ylmethyl-8,11,19,22,25,28-hexaoxo-7,12,18,21,24,27-hexaaza-spiro[5.22]octacosane-17-carboxylic acid amide::CID44366181::PG-914

SMILES: CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O

InChI Key: InChIKey=FDLHDUZIGJCBAK-WRLVAQMBSA-O

Data: 3 IC50  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 = 50121258   

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 5 (MC5R) (Homo sapiens (Human))	BDBM50121258 (9-(2-Acetylamino-hexanoylamino)-23-[3-(diaminometh...) Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O Show InChI InChI=1S/C55H75N13O9/c1-3-4-18-41(62-33(2)69)48(72)66-45-31-46(70)59-26-13-10-20-40(47(56)71)63-51(75)44(30-37-32-61-39-19-9-8-17-38(37)39)65-49(73)42(21-14-27-60-54(57)58)64-50(74)43(29-34-22-23-35-15-6-7-16-36(35)28-34)67-53(77)55(68-52(45)76)24-11-5-12-25-55/h6-9,15-17,19,22-23,28,32,40-45,61H,3-5,10-14,18,20-21,24-27,29-31H2,1-2H3,(H2,56,71)(H,59,70)(H,62,69)(H,63,75)(H,64,74)(H,65,73)(H,66,72)(H,67,77)(H,68,76)(H4,57,58,60)/p+1/t40-,41+,42+,43-,44-,45+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity against human Melanocortin 5 receptor				J Med Chem 45: 5287-94 (2002) BindingDB Entry DOI: 10.7270/Q20G3KW8
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50121258 (9-(2-Acetylamino-hexanoylamino)-23-[3-(diaminometh...) Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O Show InChI InChI=1S/C55H75N13O9/c1-3-4-18-41(62-33(2)69)48(72)66-45-31-46(70)59-26-13-10-20-40(47(56)71)63-51(75)44(30-37-32-61-39-19-9-8-17-38(37)39)65-49(73)42(21-14-27-60-54(57)58)64-50(74)43(29-34-22-23-35-15-6-7-16-36(35)28-34)67-53(77)55(68-52(45)76)24-11-5-12-25-55/h6-9,15-17,19,22-23,28,32,40-45,61H,3-5,10-14,18,20-21,24-27,29-31H2,1-2H3,(H2,56,71)(H,59,70)(H,62,69)(H,63,75)(H,64,74)(H,65,73)(H,66,72)(H,67,77)(H,68,76)(H4,57,58,60)/p+1/t40-,41+,42+,43-,44-,45+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity against human Melanocortin-4 receptor				J Med Chem 45: 5287-94 (2002) BindingDB Entry DOI: 10.7270/Q20G3KW8
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50121258 (9-(2-Acetylamino-hexanoylamino)-23-[3-(diaminometh...) Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O Show InChI InChI=1S/C55H75N13O9/c1-3-4-18-41(62-33(2)69)48(72)66-45-31-46(70)59-26-13-10-20-40(47(56)71)63-51(75)44(30-37-32-61-39-19-9-8-17-38(37)39)65-49(73)42(21-14-27-60-54(57)58)64-50(74)43(29-34-22-23-35-15-6-7-16-36(35)28-34)67-53(77)55(68-52(45)76)24-11-5-12-25-55/h6-9,15-17,19,22-23,28,32,40-45,61H,3-5,10-14,18,20-21,24-27,29-31H2,1-2H3,(H2,56,71)(H,59,70)(H,62,69)(H,63,75)(H,64,74)(H,65,73)(H,66,72)(H,67,77)(H,68,76)(H4,57,58,60)/p+1/t40-,41+,42+,43-,44-,45+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity against human Melanocortin 5 receptor				J Med Chem 45: 5287-94 (2002) BindingDB Entry DOI: 10.7270/Q20G3KW8
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50121258 (9-(2-Acetylamino-hexanoylamino)-23-[3-(diaminometh...) Show SMILES CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O Show InChI InChI=1S/C55H75N13O9/c1-3-4-18-41(62-33(2)69)48(72)66-45-31-46(70)59-26-13-10-20-40(47(56)71)63-51(75)44(30-37-32-61-39-19-9-8-17-38(37)39)65-49(73)42(21-14-27-60-54(57)58)64-50(74)43(29-34-22-23-35-15-6-7-16-36(35)28-34)67-53(77)55(68-52(45)76)24-11-5-12-25-55/h6-9,15-17,19,22-23,28,32,40-45,61H,3-5,10-14,18,20-21,24-27,29-31H2,1-2H3,(H2,56,71)(H,59,70)(H,62,69)(H,63,75)(H,64,74)(H,65,73)(H,66,72)(H,67,77)(H,68,76)(H4,57,58,60)/p+1/t40-,41+,42+,43-,44-,45+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity for human Melanocortin-3 receptor				J Med Chem 45: 5287-94 (2002) BindingDB Entry DOI: 10.7270/Q20G3KW8
					More data for this Ligand-Target Pair