BDBM50024372 CHEMBL2113043

SMILES: COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1

InChI Key: InChIKey=HQLXQTOXHLBXLG-XUHOWKTBSA-N

Data: 5 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 8 hits for monomerid = 50024372   

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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/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	220	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against human melanocortin 1 receptor in cAMP release assay				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (MC5R) (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 5 receptor				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/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	30	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration at human melanocortin 4 receptor in cAMP release assay				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor expressed in CHO cells				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 4 receptor				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against human melanocortin 3 receptor in cAMP release assay				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 3 receptor				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50024372 (CHEMBL2113043) Show SMILES COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C33H36ClFN4O3S/c1-21(37-32(40)29-17-18-36-20-30(29)22-5-9-25(35)10-6-22)3-4-23-19-31(43-28-15-7-24(34)8-16-28)38-39(33(23)41)26-11-13-27(42-2)14-12-26/h5-16,21,23,29-30,36H,3-4,17-20H2,1-2H3,(H,37,40)/t21-,23?,29+,30-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]-NDP- alpha-MSH binding to human melanocortin 1 receptor				Bioorg Med Chem Lett 15: 4023-8 (2005) Article DOI: 10.1016/j.bmcl.2005.06.033 BindingDB Entry DOI: 10.7270/Q2639P8S
					More data for this Ligand-Target Pair