BDBM50250205 CHEMBL4067491

SMILES: C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O

InChI Key: InChIKey=YFGWOIUCXMGHFJ-MYVNYAGQSA-N

Data: 4 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 = 50250205   

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 (M4 and M5) (Homo sapiens (Human))	BDBM50250205 (CHEMBL4067491) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C46H61N15O9S2/c1-24-39(64)57-34(17-28-19-52-31-13-8-7-12-30(28)31)43(68)60-36(38(47)63)21-71-72-22-37(61-41(66)32(56-26(3)62)14-9-15-51-46(48)49)45(70)55-25(2)40(65)58-35(18-29-20-50-23-53-29)44(69)59-33(42(67)54-24)16-27-10-5-4-6-11-27/h4-8,10-13,19-20,23-25,32-37,52H,9,14-18,21-22H2,1-3H3,(H2,47,63)(H,50,53)(H,54,67)(H,55,70)(H,56,62)(H,57,64)(H,58,65)(H,59,69)(H,60,68)(H,61,66)(H4,48,49,51)/t24-,25-,32-,33+,34-,35-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC5R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250205 (CHEMBL4067491) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C46H61N15O9S2/c1-24-39(64)57-34(17-28-19-52-31-13-8-7-12-30(28)31)43(68)60-36(38(47)63)21-71-72-22-37(61-41(66)32(56-26(3)62)14-9-15-51-46(48)49)45(70)55-25(2)40(65)58-35(18-29-20-50-23-53-29)44(69)59-33(42(67)54-24)16-27-10-5-4-6-11-27/h4-8,10-13,19-20,23-25,32-37,52H,9,14-18,21-22H2,1-3H3,(H2,47,63)(H,50,53)(H,54,67)(H,55,70)(H,56,62)(H,57,64)(H,58,65)(H,59,69)(H,60,68)(H,61,66)(H4,48,49,51)/t24-,25-,32-,33+,34-,35-,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50250205 (CHEMBL4067491) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C46H61N15O9S2/c1-24-39(64)57-34(17-28-19-52-31-13-8-7-12-30(28)31)43(68)60-36(38(47)63)21-71-72-22-37(61-41(66)32(56-26(3)62)14-9-15-51-46(48)49)45(70)55-25(2)40(65)58-35(18-29-20-50-23-53-29)44(69)59-33(42(67)54-24)16-27-10-5-4-6-11-27/h4-8,10-13,19-20,23-25,32-37,52H,9,14-18,21-22H2,1-3H3,(H2,47,63)(H,50,53)(H,54,67)(H,55,70)(H,56,62)(H,57,64)(H,58,65)(H,59,69)(H,60,68)(H,61,66)(H4,48,49,51)/t24-,25-,32-,33+,34-,35-,36-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC3R expressed in HEK293 cells after 16 to 20 hrs by CRE-driven reporter assay				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250205 (CHEMBL4067491) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O |r| Show InChI InChI=1S/C46H61N15O9S2/c1-24-39(64)57-34(17-28-19-52-31-13-8-7-12-30(28)31)43(68)60-36(38(47)63)21-71-72-22-37(61-41(66)32(56-26(3)62)14-9-15-51-46(48)49)45(70)55-25(2)40(65)58-35(18-29-20-50-23-53-29)44(69)59-33(42(67)54-24)16-27-10-5-4-6-11-27/h4-8,10-13,19-20,23-25,32-37,52H,9,14-18,21-22H2,1-3H3,(H2,47,63)(H,50,53)(H,54,67)(H,55,70)(H,56,62)(H,57,64)(H,58,65)(H,59,69)(H,60,68)(H,61,66)(H4,48,49,51)/t24-,25-,32-,33+,34-,35-,36-,37-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair