BDBM50211377 Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10)-NH2::CHEMBL438118

SMILES: CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O

InChI Key: InChIKey=ORPOIIFPKJKKPO-AGLBDDBTSA-N

Data: 4 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 7 hits for monomerid = 50211377   

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 (Homo sapiens (Human))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,48-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+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 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
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,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	2.5	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
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,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	1.40E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human MC3R 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))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,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	5.30	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
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,48-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	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))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,48-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50211377 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip-Pro8-Trp9-Lys10...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O Show InChI InChI=1S/C56H69N11O9/c1-3-4-16-43(61-34(2)68)49(69)28-39-29-50(70)59-24-11-10-18-44(51(57)71)63-53(73)45(30-40-27-38-15-8-9-17-42(38)62-40)65-55(75)48-19-12-25-67(48)56(76)47(26-35-20-22-37(23-21-35)36-13-6-5-7-14-36)66-54(74)46(64-52(39)72)31-41-32-58-33-60-41/h5-9,13-15,17,20-23,27,32-33,39,43-48,62H,3-4,10-12,16,18-19,24-26,28-31H2,1-2H3,(H2,57,71)(H,58,60)(H,59,70)(H,61,68)(H,63,73)(H,64,72)(H,65,75)(H,66,74)/t39-,43-,44-,45-,46-,47+,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	45	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