BDBM50152795 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-((S)-pyrrolidin-3-ylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-amide::CHEMBL185035

SMILES: CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1

InChI Key: InChIKey=YUWKIIAXKBDHDF-ULPYORLWSA-N

Data: 4 KI  1 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 = 50152795   

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))	BDBM50152795 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50152795 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-5 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50152795 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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 Displacement of [125I]-NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50152795 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+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 Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152795 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 Show InChI InChI=1S/C35H43ClN6O2/c1-24(39-29-14-15-37-23-29)30-8-4-5-9-33(30)41-16-18-42(19-17-41)35(44)32(20-25-10-12-28(36)13-11-25)40-34(43)31-21-26-6-2-3-7-27(26)22-38-31/h2-13,24,29,31-32,37-39H,14-23H2,1H3,(H,40,43)/t24?,29-,31+,32+/m0/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	12	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair