BDBM50155393 4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-butyramide::CHEMBL186289

SMILES: NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1

InChI Key: InChIKey=SPKUFMODEUMWTR-HHHXNRCGSA-N

Data: 4 KI

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 4 hits for monomerid = 50155393   

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))	BDBM50155393 (4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...) Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Tested for inhibition of binding to MC4 receptor				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50155393 (4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...) Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 5 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50155393 (4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...) Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 1 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50155393 (4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[...) Show SMILES NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 Show InChI InChI=1S/C30H38ClN5O2S/c31-25-11-9-23(10-12-25)21-27(34-29(37)8-3-14-32)30(38)36-18-16-35(17-19-36)28-7-2-1-5-24(28)22-33-15-13-26-6-4-20-39-26/h1-2,4-7,9-12,20,27,33H,3,8,13-19,21-22,32H2,(H,34,37)/t27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Binding affinity towards human melanocortin 3 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand				Bioorg Med Chem Lett 14: 5605-9 (2004) Article DOI: 10.1016/j.bmcl.2004.08.055 BindingDB Entry DOI: 10.7270/Q2DB82K8
					More data for this Ligand-Target Pair