BDBM50121263 1N-[12-carbamoyl-18-(3-diaminomethaniminiumpropyl)-15-(1H-3-indolylmethyl)-21-(2-naphthylmethyl)-3,6,14,17,20,23-hexaoxo-(4R,12S,15S,18R,21S)-spiro[2,7,13,16,19,22-hexaazacyclotricosane-1,2'-(2',3'-dihydro-1'H-indene)]-4-yl]-2-methyl::CID44366212::PG-915

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(Cc3ccccc3C2)NC1=O)C(N)=O

InChI Key: InChIKey=CZCIDYFBUVIGBB-KVVACOCFSA-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 = 50121263   

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 3 (Homo sapiens (Human))	BDBM50121263 (1N-[12-carbamoyl-18-(3-diaminomethaniminiumpropyl)...) 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(Cc3ccccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C58H73N13O9/c1-3-4-19-44(65-34(2)72)51(75)69-48-30-49(73)62-25-12-11-21-43(50(59)74)66-54(78)47(29-40-33-64-42-20-10-9-18-41(40)42)68-52(76)45(22-13-26-63-57(60)61)67-53(77)46(28-35-23-24-36-14-5-6-15-37(36)27-35)70-56(80)58(71-55(48)79)31-38-16-7-8-17-39(38)32-58/h5-10,14-18,20,23-24,27,33,43-48,64H,3-4,11-13,19,21-22,25-26,28-32H2,1-2H3,(H2,59,74)(H,62,73)(H,65,72)(H,66,78)(H,67,77)(H,68,76)(H,69,75)(H,70,80)(H,71,79)(H4,60,61,63)/p+1/t43-,44+,45+,46-,47-,48+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	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
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50121263 (1N-[12-carbamoyl-18-(3-diaminomethaniminiumpropyl)...) 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(Cc3ccccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C58H73N13O9/c1-3-4-19-44(65-34(2)72)51(75)69-48-30-49(73)62-25-12-11-21-43(50(59)74)66-54(78)47(29-40-33-64-42-20-10-9-18-41(40)42)68-52(76)45(22-13-26-63-57(60)61)67-53(77)46(28-35-23-24-36-14-5-6-15-37(36)27-35)70-56(80)58(71-55(48)79)31-38-16-7-8-17-39(38)32-58/h5-10,14-18,20,23-24,27,33,43-48,64H,3-4,11-13,19,21-22,25-26,28-32H2,1-2H3,(H2,59,74)(H,62,73)(H,65,72)(H,66,78)(H,67,77)(H,68,76)(H,69,75)(H,70,80)(H,71,79)(H4,60,61,63)/p+1/t43-,44+,45+,46-,47-,48+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	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))	BDBM50121263 (1N-[12-carbamoyl-18-(3-diaminomethaniminiumpropyl)...) 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(Cc3ccccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C58H73N13O9/c1-3-4-19-44(65-34(2)72)51(75)69-48-30-49(73)62-25-12-11-21-43(50(59)74)66-54(78)47(29-40-33-64-42-20-10-9-18-41(40)42)68-52(76)45(22-13-26-63-57(60)61)67-53(77)46(28-35-23-24-36-14-5-6-15-37(36)27-35)70-56(80)58(71-55(48)79)31-38-16-7-8-17-39(38)32-58/h5-10,14-18,20,23-24,27,33,43-48,64H,3-4,11-13,19,21-22,25-26,28-32H2,1-2H3,(H2,59,74)(H,62,73)(H,65,72)(H,66,78)(H,67,77)(H,68,76)(H,69,75)(H,70,80)(H,71,79)(H4,60,61,63)/p+1/t43-,44+,45+,46-,47-,48+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	17	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 5 (MC5R) (Homo sapiens (Human))	BDBM50121263 (1N-[12-carbamoyl-18-(3-diaminomethaniminiumpropyl)...) 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(Cc3ccccc3C2)NC1=O)C(N)=O Show InChI InChI=1S/C58H73N13O9/c1-3-4-19-44(65-34(2)72)51(75)69-48-30-49(73)62-25-12-11-21-43(50(59)74)66-54(78)47(29-40-33-64-42-20-10-9-18-41(40)42)68-52(76)45(22-13-26-63-57(60)61)67-53(77)46(28-35-23-24-36-14-5-6-15-37(36)27-35)70-56(80)58(71-55(48)79)31-38-16-7-8-17-39(38)32-58/h5-10,14-18,20,23-24,27,33,43-48,64H,3-4,11-13,19,21-22,25-26,28-32H2,1-2H3,(H2,59,74)(H,62,73)(H,65,72)(H,66,78)(H,67,77)(H,68,76)(H,69,75)(H,70,80)(H,71,79)(H4,60,61,63)/p+1/t43-,44+,45+,46-,47-,48+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	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