BDBM50266704 CHEMBL4083717

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O

InChI Key: InChIKey=GYPFKQQJLPOFKF-NFGXINMFSA-N

Data: 1 KI  2 IC50  4 EC50

PDB links: 1209 PDB IDs match this monomer.

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 7 hits for monomerid = 50266704   

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 (Mus musculus)	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Antagonist activity at mouse MC4R expressed in HEK293 cells assessed as inhibition of NDP-MSH induced-cAMP accumulation after 2 hrs by alpha screen a...				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Mus musculus)	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC1R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	13	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 MC4R expressed in HEK293 cells after 1 hr by gamma counting				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	550	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 MC3R expressed in HEK293 cells after 1 hr by gamma counting				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Mus musculus)	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	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 MC4R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Mus musculus (Mouse))	BDBM50266704 (CHEMBL4083717) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r| Show InChI InChI=1S/C33H46IN11O5/c1-19(46)42-24(8-4-14-40-32(36)37)29(48)43-25(9-5-15-41-33(38)39)30(49)44-26(16-20-10-12-23(34)13-11-20)31(50)45-18-22-7-3-2-6-21(22)17-27(45)28(35)47/h2-3,6-7,10-13,24-27H,4-5,8-9,14-18H2,1H3,(H2,35,47)(H,42,46)(H,43,48)(H,44,49)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26+,27-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.80	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC5R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair