BDBM50211375 Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys10)-NH2::CHEMBL2371962

SMILES: [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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

InChI Key: InChIKey=TWDTYJMEGITLBP-INNXSACMSA-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 = 50211375   

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))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	0.370	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))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	3.30	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 3 (Homo sapiens (Human))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	1.40E+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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	5.90	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 4 (Homo sapiens (Human))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	570	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 5 (MC5R) (Homo sapiens (Human))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	0.720	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 3 (Homo sapiens (Human))	BDBM50211375 (Ac-Nle4-cyclo(Asp5-His6-D-4,4'-Bip7-Pip8-Trp9-Lys1...) Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)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 Show InChI InChI=1S/C56H70N12O9/c1-3-4-17-43(62-34(2)69)51(72)65-46-30-49(70)59-25-12-10-19-42(50(57)71)63-52(73)44(28-38-31-60-41-18-9-8-16-40(38)41)66-55(76)48-20-11-13-26-68(48)56(77)47(27-35-21-23-37(24-22-35)36-14-6-5-7-15-36)67-53(74)45(64-54(46)75)29-39-32-58-33-61-39/h5-9,14-16,18,21-24,31-33,42-48,60H,3-4,10-13,17,19-20,25-30H2,1-2H3,(H2,57,71)(H,58,61)(H,59,70)(H,62,69)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,74)/t42?,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	370	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