Compile Data Set for Download or QSAR

Found 139 hits with Last Name = 'messere' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Smoothened homolog (Homo sapiens (Human))	BDBM24498 (3-(3-fluoro-4-{[2-(1-methyl-1H-imidazol-4-yl)thien...) Show SMILES Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 Show InChI InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Displacement of [3H]-cyclopamine from human wild-type SMO receptor expressed in HEK293T cell membranes by liquid scintillation spectrometry				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250705 (CHEMBL4078698) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)16-10-20-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)35(24-29-18-19-30-14-8-9-15-31(30)22-29)58-41(65)34(23-28-12-6-5-7-13-28)57-40(64)33(56-43(36)67)17-11-21-53-46(50)51/h5-9,12-15,18-19,22,26,32-37H,10-11,16-17,20-21,23-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50603799 (CHEMBL5180152) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241617 (CHEMBL4068667) Show SMILES CC(CC(=O)N[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H31N3O4/c1-20(22-8-3-2-4-9-22)18-26(31)30-24(27(32)33)19-21-11-13-23(14-12-21)34-17-7-16-29-25-10-5-6-15-28-25/h2-6,8-15,20,24H,7,16-19H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t20?,24-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50603801 (CHEMBL5203580) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)c2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50603801 (CHEMBL5203580) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241630 (CHEMBL4065471) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C38H37N3O4/c42-36(28-38(30-13-4-1-5-14-30,31-15-6-2-7-16-31)32-17-8-3-9-18-32)41-34(37(43)44)27-29-20-22-33(23-21-29)45-26-12-25-40-35-19-10-11-24-39-35/h1-11,13-24,34H,12,25-28H2,(H,39,40)(H,41,42)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250733 (CHEMBL4064373) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)16-10-20-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)34(23-28-12-6-5-7-13-28)58-41(65)35(24-29-18-19-30-14-8-9-15-31(30)22-29)57-40(64)33(56-43(36)67)17-11-21-53-46(50)51/h5-9,12-15,18-19,22,26,32-37H,10-11,16-17,20-21,23-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,64)(H,58,65)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250704 (CHEMBL4089168) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C44H63N15O9S2/c1-23(53-36(62)29(54-24(2)60)11-7-15-50-42(45)46)35(61)58-33-21-69-70-44(3,4)34(41(67)68)59-39(65)32(19-28-20-49-22-52-28)57-38(64)31(18-25-13-14-26-9-5-6-10-27(26)17-25)56-37(63)30(55-40(33)66)12-8-16-51-43(47)48/h5-6,9-10,13-14,17,20,22-23,29-34H,7-8,11-12,15-16,18-19,21H2,1-4H3,(H,49,52)(H,53,62)(H,54,60)(H,55,66)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,67,68)(H4,45,46,50)(H4,47,48,51)/t23-,29-,30-,31-,32-,33+,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241631 (CHEMBL4095983) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-31(23-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)35-29(32(37)38)22-24-15-17-27(18-16-24)39-21-9-20-34-30-14-7-8-19-33-30/h1-8,10-19,28-29H,9,20-23H2,(H,33,34)(H,35,36)(H,37,38)/t29-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50603799 (CHEMBL5180152) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241631 (CHEMBL4095983) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-31(23-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)35-29(32(37)38)22-24-15-17-27(18-16-24)39-21-9-20-34-30-14-7-8-19-33-30/h1-8,10-19,28-29H,9,20-23H2,(H,33,34)(H,35,36)(H,37,38)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Oncologia Medica, Dipartimento Medico-Chirurgico di Internistica Clinica e Sperimentale"F. Magrassi e A. Lanzara", Università della Campania"Luigi Vanvitelli" , Via Pansini 6, 801 Curated by ChEMBL					Assay Description Inhibition of MET (unknown origin)				J Med Chem 60: 7447-7458 (2017) Article DOI: 10.1021/acs.jmedchem.7b00794 BindingDB Entry DOI: 10.7270/Q22B91GS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50603802 (CHEMBL5187368) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC(C)(C)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)c2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50603804 (CHEMBL5206336) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50603801 (CHEMBL5203580) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)c2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241618 (CHEMBL4064911) Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c33-30(21-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-29(31(34)35)20-23-16-18-27(19-17-23)36-22-24-10-4-1-5-11-24/h1-19,28-29H,20-22H2,(H,32,33)(H,34,35)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241623 (CHEMBL4102803) Show SMILES OC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c26-20-13-11-17(12-14-20)15-22(24(28)29)25-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22,26H,15-16H2,(H,25,27)(H,28,29)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50027084 (Melatonan) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241627 (CHEMBL4105199) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c1-36-30(35)28(21-23-17-19-27(33)20-18-23)32-29(34)22-31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28,33H,21-22H2,1H3,(H,32,34)/t28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241621 (CHEMBL4095042) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H22ClNO3/c25-20-13-11-17(12-14-20)15-22(24(28)29)26-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22H,15-16H2,(H,26,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241629 (CHEMBL4100348) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H22N2O5/c27-23(16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19)25-22(24(28)29)15-17-11-13-20(14-12-17)26(30)31/h1-14,21-22H,15-16H2,(H,25,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50603799 (CHEMBL5180152) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50603800 (CHEMBL5205283) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC(C)(C)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241626 (CHEMBL4080951) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H25NO4/c1-30-25(29)23(16-18-12-14-21(27)15-13-18)26-24(28)17-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22-23,27H,16-17H2,1H3,(H,26,28)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250704 (CHEMBL4089168) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C44H63N15O9S2/c1-23(53-36(62)29(54-24(2)60)11-7-15-50-42(45)46)35(61)58-33-21-69-70-44(3,4)34(41(67)68)59-39(65)32(19-28-20-49-22-52-28)57-38(64)31(18-25-13-14-26-9-5-6-10-27(26)17-25)56-37(63)30(55-40(33)66)12-8-16-51-43(47)48/h5-6,9-10,13-14,17,20,22-23,29-34H,7-8,11-12,15-16,18-19,21H2,1-4H3,(H,49,52)(H,53,62)(H,54,60)(H,55,66)(H,56,63)(H,57,64)(H,58,61)(H,59,65)(H,67,68)(H4,45,46,50)(H4,47,48,51)/t23-,29-,30-,31-,32-,33+,34+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250710 (CHEMBL4061034) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C47H65N13O9S2/c1-26(54-39(63)32(55-27(2)61)19-11-21-52-45(48)49)38(62)59-36-25-70-71-47(3,4)37(44(68)69)60-42(66)34(23-28-13-6-5-7-14-28)57-41(65)35(24-30-17-10-16-29-15-8-9-18-31(29)30)58-40(64)33(56-43(36)67)20-12-22-53-46(50)51/h5-10,13-18,26,32-37H,11-12,19-25H2,1-4H3,(H,54,63)(H,55,61)(H,56,67)(H,57,65)(H,58,64)(H,59,62)(H,60,66)(H,68,69)(H4,48,49,52)(H4,50,51,53)/t26-,32-,33-,34-,35-,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241628 (CHEMBL4084848) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c26-20-13-11-17(12-14-20)15-22(24(28)29)25-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22,26H,15-16H2,(H,25,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241626 (CHEMBL4080951) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H25NO4/c1-30-25(29)23(16-18-12-14-21(27)15-13-18)26-24(28)17-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22-23,27H,16-17H2,1H3,(H,26,28)/t23-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50603799 (CHEMBL5180152) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50603802 (CHEMBL5187368) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC(C)(C)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50603801 (CHEMBL5203580) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)c2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241627 (CHEMBL4105199) Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c1-36-30(35)28(21-23-17-19-27(33)20-18-23)32-29(34)22-31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20,28,33H,21-22H2,1H3,(H,32,34)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50192468 (CHEMBL3923282) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C41H59N13O9S2/c1-23(48-34(57)27(49-24(2)55)15-9-17-46-40(42)43)33(56)53-31-21-64-65-22-32(39(62)63)54-37(60)30(20-26-13-7-4-8-14-26)52-36(59)29(19-25-11-5-3-6-12-25)51-35(58)28(50-38(31)61)16-10-18-47-41(44)45/h3-8,11-14,23,27-32H,9-10,15-22H2,1-2H3,(H,48,57)(H,49,55)(H,50,61)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,62,63)(H4,42,43,46)(H4,44,45,47)/t23-,27-,28-,29-,30-,31+,32-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241622 (CHEMBL4074577) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO3/c26-23(25-22(24(27)28)16-18-10-4-1-5-11-18)17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2,(H,25,26)(H,27,28)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50603805 (CHEMBL5172938) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50603805 (CHEMBL5172938) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50603805 (CHEMBL5172938) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccccc2CSC(C)(C)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241620 (CHEMBL4073512) Show SMILES Nc1ccc(C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C24H24N2O3/c25-20-13-11-17(12-14-20)15-22(24(28)29)26-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22H,15-16,25H2,(H,26,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50192652 (CHEMBL3901189) Show SMILES C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C39H57N13O8S2/c1-22(47-32(54)25(40)14-8-16-45-38(41)42)31(53)51-29-20-61-62-21-30(37(59)60)52-35(57)28(19-24-12-6-3-7-13-24)50-34(56)27(18-23-10-4-2-5-11-23)49-33(55)26(48-36(29)58)15-9-17-46-39(43)44/h2-7,10-13,22,25-30H,8-9,14-21,40H2,1H3,(H,47,54)(H,48,58)(H,49,55)(H,50,56)(H,51,53)(H,52,57)(H,59,60)(H4,41,42,45)(H4,43,44,46)/t22-,25-,26-,27-,28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair
Protein Mdm4 (Homo sapiens (Human))	BDBM50241618 (CHEMBL4064911) Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H29NO4/c33-30(21-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-29(31(34)35)20-23-16-18-27(19-17-23)36-22-24-10-4-1-5-11-24/h1-19,28-29H,20-22H2,(H,32,33)(H,34,35)/t29-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM4 in human SH-SY5Y cells assessed as reduction in MDM4 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic ...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50603800 (CHEMBL5205283) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC(C)(C)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50603800 (CHEMBL5205283) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC(C)(C)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50241621 (CHEMBL4095042) Show SMILES OC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H22ClNO3/c25-20-13-11-17(12-14-20)15-22(24(28)29)26-23(27)16-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21-22H,15-16H2,(H,26,27)(H,28,29)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of MDM2 in human U87MG cells assessed as reduction in MDM2 interaction with p53 after 10 mins by quantitative sandwich immune-enzymatic as...				J Med Chem 60: 8115-8130 (2017) Article DOI: 10.1021/acs.jmedchem.7b00912 BindingDB Entry DOI: 10.7270/Q2348NJ0
					More data for this Ligand-Target Pair
Melanocortin receptor 5 (Homo sapiens (Human))	BDBM50603800 (CHEMBL5205283) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(CSC(C)(C)[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC1=O)C(N)=O)cc2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01848 BindingDB Entry DOI: 10.7270/Q2J67N1M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50250721 (CHEMBL4093767) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O |r| Show InChI InChI=1S/C43H63N13O10S2/c1-23(50-35(60)28(51-24(2)57)12-8-18-48-41(44)45)34(59)55-32-22-67-68-43(3,4)33(40(65)66)56-38(63)31(20-25-10-6-5-7-11-25)54-37(62)30(21-26-14-16-27(58)17-15-26)53-36(61)29(52-39(32)64)13-9-19-49-42(46)47/h5-7,10-11,14-17,23,28-33,58H,8-9,12-13,18-22H2,1-4H3,(H,50,60)(H,51,57)(H,52,64)(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,65,66)(H4,44,45,48)(H4,46,47,49)/t23-,28-,29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Campania Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL12 from CXCR4 in human CCRF-CEM cells after 1 hr by gamma counting method				J Med Chem 60: 9641-9652 (2017) Article DOI: 10.1021/acs.jmedchem.7b01062 BindingDB Entry DOI: 10.7270/Q28S4SBJ
					More data for this Ligand-Target Pair

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