BDBM50514457 CHEMBL4565367

SMILES: [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C

InChI Key: InChIKey=ZJAPTWLOYMLZGR-WTBBZCIKSA-N

Data: 5 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 6 hits for monomerid = 50514457   

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 (Mus musculus (Mouse))	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP ...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 3 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860
					More data for this Ligand-Target Pair
Melanocortin receptor 1 (Mus musculus)	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 1 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 5 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from human melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 4 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860
					More data for this Ligand-Target Pair