BDBM50089408 CHEMBL3577990

SMILES: [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1

InChI Key: InChIKey=XKBSPKDFMWAVMQ-JMUQTYQMSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50089408   

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)	BDBM50089408 (CHEMBL3577990) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r| Show InChI InChI=1S/C49H62N12O9/c1-29-41(63)58-36(27-31-16-7-3-8-17-31)47(69)61-25-13-22-38(61)48(70)60-24-12-21-37(60)45(67)55-33(20-11-23-53-49(51)52)42(64)56-34(26-30-14-5-2-6-15-30)44(66)59-40(32-18-9-4-10-19-32)46(68)57-35(28-39(50)62)43(65)54-29/h2-10,14-19,29,33-38,40H,11-13,20-28H2,1H3,(H2,50,62)(H,54,65)(H,55,67)(H,56,64)(H,57,68)(H,58,63)(H,59,66)(H4,51,52,53)/t29-,33-,34-,35-,36-,37-,38+,40?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of MTII from mouse MC4R expressed in HEK293 cells				J Med Chem 58: 4638-47 (2015) Article DOI: 10.1021/acs.jmedchem.5b00184 BindingDB Entry DOI: 10.7270/Q2T155C9
					More data for this Ligand-Target Pair
Melanocortin receptor 1 (Mus musculus)	BDBM50089408 (CHEMBL3577990) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r| Show InChI InChI=1S/C49H62N12O9/c1-29-41(63)58-36(27-31-16-7-3-8-17-31)47(69)61-25-13-22-38(61)48(70)60-24-12-21-37(60)45(67)55-33(20-11-23-53-49(51)52)42(64)56-34(26-30-14-5-2-6-15-30)44(66)59-40(32-18-9-4-10-19-32)46(68)57-35(28-39(50)62)43(65)54-29/h2-10,14-19,29,33-38,40H,11-13,20-28H2,1H3,(H2,50,62)(H,54,65)(H,55,67)(H,56,64)(H,57,68)(H,58,63)(H,59,66)(H4,51,52,53)/t29-,33-,34-,35-,36-,37-,38+,40?/m0/s1	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	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 by cAMP functional bioassay				J Med Chem 58: 4638-47 (2015) Article DOI: 10.1021/acs.jmedchem.5b00184 BindingDB Entry DOI: 10.7270/Q2T155C9
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Mus musculus (Mouse))	BDBM50089408 (CHEMBL3577990) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r| Show InChI InChI=1S/C49H62N12O9/c1-29-41(63)58-36(27-31-16-7-3-8-17-31)47(69)61-25-13-22-38(61)48(70)60-24-12-21-37(60)45(67)55-33(20-11-23-53-49(51)52)42(64)56-34(26-30-14-5-2-6-15-30)44(66)59-40(32-18-9-4-10-19-32)46(68)57-35(28-39(50)62)43(65)54-29/h2-10,14-19,29,33-38,40H,11-13,20-28H2,1H3,(H2,50,62)(H,54,65)(H,55,67)(H,56,64)(H,57,68)(H,58,63)(H,59,66)(H4,51,52,53)/t29-,33-,34-,35-,36-,37-,38+,40?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+8	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 by cAMP functional bioassay				J Med Chem 58: 4638-47 (2015) Article DOI: 10.1021/acs.jmedchem.5b00184 BindingDB Entry DOI: 10.7270/Q2T155C9
					More data for this Ligand-Target Pair