BDBM50266740 CHEMBL4091894

SMILES: CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O

InChI Key: InChIKey=FYVIFNLHCUTEBN-BPXGVECKSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 50266740   

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 (Mus musculus)	BDBM50266740 (CHEMBL4091894) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H41IN10O5S/c1-19(46)42-28(15-23-16-39-18-41-23)33(50)43-25(6-4-12-40-34(37)38)31(48)45-27(13-20-8-10-22(35)11-9-20)32(49)44-26(30(36)47)14-21-17-51-29-7-3-2-5-24(21)29/h2-3,5,7-11,16-18,25-28H,4,6,12-15H2,1H3,(H2,36,47)(H,39,41)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,37,38,40)/t25-,26-,27+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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 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)	BDBM50266740 (CHEMBL4091894) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H41IN10O5S/c1-19(46)42-28(15-23-16-39-18-41-23)33(50)43-25(6-4-12-40-34(37)38)31(48)45-27(13-20-8-10-22(35)11-9-20)32(49)44-26(30(36)47)14-21-17-51-29-7-3-2-5-24(21)29/h2-3,5,7-11,16-18,25-28H,4,6,12-15H2,1H3,(H2,36,47)(H,39,41)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,37,38,40)/t25-,26-,27+,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	275	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 1 (Mus musculus)	BDBM50266740 (CHEMBL4091894) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H41IN10O5S/c1-19(46)42-28(15-23-16-39-18-41-23)33(50)43-25(6-4-12-40-34(37)38)31(48)45-27(13-20-8-10-22(35)11-9-20)32(49)44-26(30(36)47)14-21-17-51-29-7-3-2-5-24(21)29/h2-3,5,7-11,16-18,25-28H,4,6,12-15H2,1H3,(H2,36,47)(H,39,41)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,37,38,40)/t25-,26-,27+,28-/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	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 5 (Mus musculus (Mouse))	BDBM50266740 (CHEMBL4091894) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H41IN10O5S/c1-19(46)42-28(15-23-16-39-18-41-23)33(50)43-25(6-4-12-40-34(37)38)31(48)45-27(13-20-8-10-22(35)11-9-20)32(49)44-26(30(36)47)14-21-17-51-29-7-3-2-5-24(21)29/h2-3,5,7-11,16-18,25-28H,4,6,12-15H2,1H3,(H2,36,47)(H,39,41)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,37,38,40)/t25-,26-,27+,28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	270	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
Melanocortin receptor 3 (Mus musculus)	BDBM50266740 (CHEMBL4091894) Show SMILES CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r| Show InChI InChI=1S/C34H41IN10O5S/c1-19(46)42-28(15-23-16-39-18-41-23)33(50)43-25(6-4-12-40-34(37)38)31(48)45-27(13-20-8-10-22(35)11-9-20)32(49)44-26(30(36)47)14-21-17-51-29-7-3-2-5-24(21)29/h2-3,5,7-11,16-18,25-28H,4,6,12-15H2,1H3,(H2,36,47)(H,39,41)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,37,38,40)/t25-,26-,27+,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	460	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