BDBM50169440 (1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide::CHEMBL188966

SMILES: CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1

InChI Key: InChIKey=KHTORJRLHSSEND-HBMTYJCASA-N

Data: 3 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 5 hits for monomerid = 50169440   

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 (Homo sapiens (Human))	BDBM50169440 ((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1 Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	238	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...				Bioorg Med Chem Lett 15: 3501-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.109 BindingDB Entry DOI: 10.7270/Q2Q81CKF
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50169440 ((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1 Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]-NDP...				Bioorg Med Chem Lett 15: 3501-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.109 BindingDB Entry DOI: 10.7270/Q2Q81CKF
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50169440 ((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1 Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration (binding affinity) exhibited against human melanocortin receptor 5 by radio labeled ligand assay (Displacement of [125I]NDP-a...				Bioorg Med Chem Lett 15: 3501-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.109 BindingDB Entry DOI: 10.7270/Q2Q81CKF
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50169440 ((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1 Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...				Bioorg Med Chem Lett 15: 3501-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.109 BindingDB Entry DOI: 10.7270/Q2Q81CKF
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50169440 ((1S,4R,6S)-2-Aza-bicyclo[2.2.2]octane-6-carboxylic...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1 Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26+,27+,28-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...				Bioorg Med Chem Lett 15: 3501-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.109 BindingDB Entry DOI: 10.7270/Q2Q81CKF
					More data for this Ligand-Target Pair