BDBM50168724 1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-3-(4-chloro-phenyl)-propionyl]-4-cyclohexyl-piperidine-4-carboxylic acid tert-butylamide::CHEMBL433764

SMILES: CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1

InChI Key: InChIKey=IFDBWKFSUPQKCA-OJDZSJEKSA-N

Data: 1 KI  4 IC50

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 = 50168724   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50168724 (1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1 Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				J Med Chem 55: 4896-933 (2012) Article DOI: 10.1021/jm300065h BindingDB Entry DOI: 10.7270/Q2PG1SVR
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50168724 (1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1 Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells				Bioorg Med Chem Lett 15: 3430-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50168724 (1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1 Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells				Bioorg Med Chem Lett 15: 3430-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50168724 (1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1 Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells				Bioorg Med Chem Lett 15: 3430-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50168724 (1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...) Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1 Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells				Bioorg Med Chem Lett 15: 3430-3 (2005) Article DOI: 10.1016/j.bmcl.2005.05.012 BindingDB Entry DOI: 10.7270/Q2959H2N
					More data for this Ligand-Target Pair