BDBM50211369 Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys10)-NH2::CHEMBL2371969

SMILES: [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C

InChI Key: InChIKey=IQSWKOJGUWKVIB-INCJRZKESA-N

Data: 4 IC50  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 6 hits for monomerid = 50211369   

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 (MC5R) (Homo sapiens (Human))	BDBM50211369 (Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.230	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulation				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50211369 (Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50211369 (Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50211369 (Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50211369 (Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50211369 (Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells				J Med Chem 50: 2520-6 (2007) Article DOI: 10.1021/jm0614275 BindingDB Entry DOI: 10.7270/Q2JQ10QM
					More data for this Ligand-Target Pair