Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'cerofolini' and Initial = 'l'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-13 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270003 (CHEMBL4075458) Show SMILES O=C1C=Cc2c(c(cn2S(=O)(=O)c2ccccc2)-c2ccccc2)C1=O |c:2| Show InChI InChI=1S/C20H13NO4S/c22-18-12-11-17-19(20(18)23)16(14-7-3-1-4-8-14)13-21(17)26(24,25)15-9-5-2-6-10-15/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-12 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair				3D Structure (crystal)
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269995 (CHEMBL4064932) Show SMILES COc1ccc(SC2=CC(=O)C(=O)c3c(cn(c23)S(=O)(=O)c2ccccc2)-c2ccccc2)cc1 |t:7| Show InChI InChI=1S/C27H19NO5S2/c1-33-19-12-14-20(15-13-19)34-24-16-23(29)27(30)25-22(18-8-4-2-5-9-18)17-28(26(24)25)35(31,32)21-10-6-3-7-11-21/h2-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50209097 (CHEMBL3885369) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C59H98N12O20S2/c1-59(2,3)91-58(82)66-36-41-69(39-28-54(78)64-34-32-62-52(76)18-10-8-16-50(74)60-30-12-6-14-37-70(48(42-72)56(80)67-83)92(85,86)46-24-20-44(89-4)21-25-46)40-29-55(79)65-35-33-63-53(77)19-11-9-17-51(75)61-31-13-7-15-38-71(49(43-73)57(81)68-84)93(87,88)47-26-22-45(90-5)23-27-47/h20-27,48-49,72-73,83-84H,6-19,28-43H2,1-5H3,(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,82)(H,67,80)(H,68,81)/t48-,49-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-2 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50209097 (CHEMBL3885369) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C59H98N12O20S2/c1-59(2,3)91-58(82)66-36-41-69(39-28-54(78)64-34-32-62-52(76)18-10-8-16-50(74)60-30-12-6-14-37-70(48(42-72)56(80)67-83)92(85,86)46-24-20-44(89-4)21-25-46)40-29-55(79)65-35-33-63-53(77)19-11-9-17-51(75)61-31-13-7-15-38-71(49(43-73)57(81)68-84)93(87,88)47-26-22-45(90-5)23-27-47/h20-27,48-49,72-73,83-84H,6-19,28-43H2,1-5H3,(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,82)(H,67,80)(H,68,81)/t48-,49-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-9 catalytic domain (112 to 445 residues) expressed in Escherichia coli assessed as inhibition of hydrolysis of Mc...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50209097 (CHEMBL3885369) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C59H98N12O20S2/c1-59(2,3)91-58(82)66-36-41-69(39-28-54(78)64-34-32-62-52(76)18-10-8-16-50(74)60-30-12-6-14-37-70(48(42-72)56(80)67-83)92(85,86)46-24-20-44(89-4)21-25-46)40-29-55(79)65-35-33-63-53(77)19-11-9-17-51(75)61-31-13-7-15-38-71(49(43-73)57(81)68-84)93(87,88)47-26-22-45(90-5)23-27-47/h20-27,48-49,72-73,83-84H,6-19,28-43H2,1-5H3,(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,82)(H,67,80)(H,68,81)/t48-,49-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-12 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluor...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269992 (CHEMBL4095060) Show SMILES COc1ccc(cc1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:9| Show InChI InChI=1S/C27H19NO5S/c1-33-20-14-12-19(13-15-20)22-16-24(29)27(30)25-23(18-8-4-2-5-9-18)17-28(26(22)25)34(31,32)21-10-6-3-7-11-21/h2-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Binding affinity to 6xHis-taged MDM2 (unknown origin) expressed in Escherichia coli Gold (DE3) assessed as inhibition constant				ACS Med Chem Lett 11: 1047-1053 (2020) Article DOI: 10.1021/acsmedchemlett.9b00620 BindingDB Entry DOI: 10.7270/Q20K2D3J
					More data for this Ligand-Target Pair				3D Structure (crystal)
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269999 (CHEMBL4100171) Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:17| Show InChI InChI=1S/C20H12FNO4S/c21-14-6-8-15(9-7-14)27(25,26)22-12-16(13-4-2-1-3-5-13)19-17(22)10-11-18(23)20(19)24/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4| Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269991 (CHEMBL4105230) Show SMILES COc1cccc(c1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:9| Show InChI InChI=1S/C27H19NO5S/c1-33-20-12-8-11-19(15-20)22-16-24(29)27(30)25-23(18-9-4-2-5-10-18)17-28(26(22)25)34(31,32)21-13-6-3-7-14-21/h2-17H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270012 (CHEMBL4073526) Show SMILES CS(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:10| Show InChI InChI=1S/C15H11NO4S/c1-21(19,20)16-9-11(10-5-3-2-4-6-10)14-12(16)7-8-13(17)15(14)18/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50209097 (CHEMBL3885369) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C59H98N12O20S2/c1-59(2,3)91-58(82)66-36-41-69(39-28-54(78)64-34-32-62-52(76)18-10-8-16-50(74)60-30-12-6-14-37-70(48(42-72)56(80)67-83)92(85,86)46-24-20-44(89-4)21-25-46)40-29-55(79)65-35-33-63-53(77)19-11-9-17-51(75)61-31-13-7-15-38-71(49(43-73)57(81)68-84)93(87,88)47-26-22-45(90-5)23-27-47/h20-27,48-49,72-73,83-84H,6-19,28-43H2,1-5H3,(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,82)(H,67,80)(H,68,81)/t48-,49-/m1/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	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-13 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269996 (CHEMBL4094161) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:20| Show InChI InChI=1S/C22H16N2O5S/c1-14(25)23-16-7-9-17(10-8-16)30(28,29)24-13-18(15-5-3-2-4-6-15)21-19(24)11-12-20(26)22(21)27/h2-13H,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269997 (CHEMBL4092808) Show SMILES Fc1cccc(c1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:17| Show InChI InChI=1S/C20H12FNO4S/c21-14-7-4-8-15(11-14)27(25,26)22-12-16(13-5-2-1-3-6-13)19-17(22)9-10-18(23)20(19)24/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270014 (CHEMBL4076484) Show SMILES CN(C)c1ccc(cc1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:14| Show InChI InChI=1S/C22H18N2O4S/c1-23(2)16-10-8-15(9-11-16)18-14-24(19-12-13-20(25)22(26)21(18)19)29(27,28)17-6-4-3-5-7-17/h3-14H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270007 (CHEMBL4067653) Show SMILES [O-][N+](=O)c1ccc(cc1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:10| Show InChI InChI=1S/C26H16N2O6S/c29-23-15-21(18-11-13-19(14-12-18)28(31)32)25-24(26(23)30)22(17-7-3-1-4-8-17)16-27(25)35(33,34)20-9-5-2-6-10-20/h1-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269994 (CHEMBL4102819) Show SMILES O=C1C=C(c2c(c(cn2S(=O)(=O)c2ccccc2)-c2ccccc2)C1=O)c1ccccc1 |c:2| Show InChI InChI=1S/C26H17NO4S/c28-23-16-21(18-10-4-1-5-11-18)25-24(26(23)29)22(19-12-6-2-7-13-19)17-27(25)32(30,31)20-14-8-3-9-15-20/h1-17H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270013 (CHEMBL4081086) Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:19| Show InChI InChI=1S/C20H12N2O6S/c23-18-10-9-17-19(20(18)24)16(13-5-2-1-3-6-13)12-21(17)29(27,28)15-8-4-7-14(11-15)22(25)26/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50209097 (CHEMBL3885369) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C59H98N12O20S2/c1-59(2,3)91-58(82)66-36-41-69(39-28-54(78)64-34-32-62-52(76)18-10-8-16-50(74)60-30-12-6-14-37-70(48(42-72)56(80)67-83)92(85,86)46-24-20-44(89-4)21-25-46)40-29-55(79)65-35-33-63-53(77)19-11-9-17-51(75)61-31-13-7-15-38-71(49(43-73)57(81)68-84)93(87,88)47-26-22-45(90-5)23-27-47/h20-27,48-49,72-73,83-84H,6-19,28-43H2,1-5H3,(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,82)(H,67,80)(H,68,81)/t48-,49-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-1 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270001 (CHEMBL4075620) Show SMILES COc1cccc(c1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:13| Show InChI InChI=1S/C21H15NO5S/c1-27-15-7-5-6-14(12-15)17-13-22(18-10-11-19(23)21(24)20(17)18)28(25,26)16-8-3-2-4-9-16/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50269990 (CHEMBL4070465) Show SMILES CC1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:1| Show InChI InChI=1S/C21H15NO4S/c1-14-12-18(23)21(24)19-17(15-8-4-2-5-9-15)13-22(20(14)19)27(25,26)16-10-6-3-7-11-16/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270002 (CHEMBL4077265) Show SMILES COc1ccc(cc1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:13| Show InChI InChI=1S/C21H15NO5S/c1-27-15-9-7-14(8-10-15)17-13-22(18-11-12-19(23)21(24)20(17)18)28(25,26)16-5-3-2-4-6-16/h2-13H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-1 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured ...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50209098 (CHEMBL3884324) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C53H86N12O20S2/c1-53(2,3)85-52(76)60-28-33-63(31-22-48(72)56-26-24-54-44(68)10-6-8-12-46(70)58-29-34-64(42(36-66)50(74)61-77)86(79,80)40-18-14-38(83-4)15-19-40)32-23-49(73)57-27-25-55-45(69)11-7-9-13-47(71)59-30-35-65(43(37-67)51(75)62-78)87(81,82)41-20-16-39(84-5)17-21-41/h14-21,42-43,66-67,77-78H,6-13,22-37H2,1-5H3,(H,54,68)(H,55,69)(H,56,72)(H,57,73)(H,58,70)(H,59,71)(H,60,76)(H,61,74)(H,62,75)/t42-,43-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-9 catalytic domain (unknown origin)				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
ELAV-like protein 1 (Homo sapiens (Human))	BDBM50270004 (CHEMBL4073683) Show SMILES O=C1c2c(cn(c2C2=C(C3CCC2C=C3)C1=O)S(=O)(=O)c1ccccc1)-c1ccccc1 |c:15,t:8| Show InChI InChI=1S/C26H19NO4S/c28-25-22-18-13-11-17(12-14-18)21(22)24-23(26(25)29)20(16-7-3-1-4-8-16)15-27(24)32(30,31)19-9-5-2-6-10-19/h1-11,13,15,17-18H,12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Molecular Science and Technology (ISTM) Curated by ChEMBL					Assay Description Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...				J Med Chem 61: 1483-1498 (2018) Article DOI: 10.1021/acs.jmedchem.7b01176 BindingDB Entry DOI: 10.7270/Q2Q81GKP
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-7 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured ...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50209097 (CHEMBL3885369) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCCCNC(=O)CCCCC(=O)NCCNC(=O)CCN(CCNC(=O)OC(C)(C)C)CCC(=O)NCCNC(=O)CCCCC(=O)NCCCCCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1)[C@H](CO)C(=O)NO |r| Show InChI InChI=1S/C59H98N12O20S2/c1-59(2,3)91-58(82)66-36-41-69(39-28-54(78)64-34-32-62-52(76)18-10-8-16-50(74)60-30-12-6-14-37-70(48(42-72)56(80)67-83)92(85,86)46-24-20-44(89-4)21-25-46)40-29-55(79)65-35-33-63-53(77)19-11-9-17-51(75)61-31-13-7-15-38-71(49(43-73)57(81)68-84)93(87,88)47-26-22-45(90-5)23-27-47/h20-27,48-49,72-73,83-84H,6-19,28-43H2,1-5H3,(H,60,74)(H,61,75)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,82)(H,67,80)(H,68,81)/t48-,49-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-7 (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by fluorimetric assay				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287688 (CHEMBL4173382) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C20H22N6O5/c21-20(22)25-14-8-4-5-12(9-14)18(30)23-11-16(27)26-15(10-17(28)29)19(31)24-13-6-2-1-3-7-13/h1-9,15H,10-11H2,(H,23,30)(H,24,31)(H,26,27)(H,28,29)(H4,21,22,25)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287724 (CHEMBL4163249) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H24N6O5/c22-21(23)26-15-8-4-7-14(9-15)19(31)25-12-17(28)27-16(10-18(29)30)20(32)24-11-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,24,32)(H,25,31)(H,27,28)(H,29,30)(H4,22,23,26)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287726 (CHEMBL4177354) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H30N6O5/c29-28(30)33-21-13-7-12-20(14-21)26(38)32-17-24(35)34-23(15-25(36)37)27(39)31-16-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-14,22-23H,15-17H2,(H,31,39)(H,32,38)(H,34,35)(H,36,37)(H4,29,30,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287989 (CHEMBL4173588) Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287917 (CHEMBL4166720) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)32-21-11-5-10-20(13-21)25(37)31-16-23(34)33-22(14-24(35)36)26(38)30-15-17-6-4-9-19(12-17)18-7-2-1-3-8-18/h1-13,22H,14-16H2,(H,30,38)(H,31,37)(H,33,34)(H,35,36)(H4,28,29,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287687 (CHEMBL4163281) Show SMILES COc1ccc(CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC(N)=N)c2)cc1 |r| Show InChI InChI=1S/C22H26N6O6/c1-34-16-7-5-13(6-8-16)11-25-21(33)17(10-19(30)31)28-18(29)12-26-20(32)14-3-2-4-15(9-14)27-22(23)24/h2-9,17H,10-12H2,1H3,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287706 (CHEMBL4173995) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H23ClN6O5/c22-14-6-4-12(5-7-14)10-25-20(33)16(9-18(30)31)28-17(29)11-26-19(32)13-2-1-3-15(8-13)27-21(23)24/h1-8,16H,9-11H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287705 (CHEMBL4169540) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)31-20-13-7-12-19(14-20)25(37)30-16-22(34)32-21(15-23(35)36)26(38)33-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,21,24H,15-16H2,(H,30,37)(H,32,34)(H,33,38)(H,35,36)(H4,28,29,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287990 (CHEMBL4165669) Show SMILES C[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287988 (CHEMBL4167167) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O5/c28-27(29)32-21-8-4-7-20(13-21)25(37)31-16-23(34)33-22(14-24(35)36)26(38)30-15-17-9-11-19(12-10-17)18-5-2-1-3-6-18/h1-13,22H,14-16H2,(H,30,38)(H,31,37)(H,33,34)(H,35,36)(H4,28,29,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287896 (CHEMBL4170132) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H28N6O5/c27-26(28)31-20-7-3-6-19(13-20)24(36)30-15-22(33)32-21(14-23(34)35)25(37)29-11-10-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12-13,21H,10-11,14-15H2,(H,29,37)(H,30,36)(H,32,33)(H,34,35)(H4,27,28,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287986 (CHEMBL4164619) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C22H26N6O5/c23-22(24)27-16-8-4-7-15(11-16)20(32)26-13-18(29)28-17(12-19(30)31)21(33)25-10-9-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2,(H,25,33)(H,26,32)(H,28,29)(H,30,31)(H4,23,24,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					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
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287987 (CHEMBL4167230) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C24H27N7O5/c25-24(26)30-16-5-3-4-14(10-16)22(35)29-13-20(32)31-19(11-21(33)34)23(36)27-9-8-15-12-28-18-7-2-1-6-17(15)18/h1-7,10,12,19,28H,8-9,11,13H2,(H,27,36)(H,29,35)(H,31,32)(H,33,34)(H4,25,26,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50287725 (CHEMBL4162220) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C24H24N6O5/c25-24(26)28-16-8-3-7-15(11-16)22(34)27-13-20(31)29-19(12-21(32)33)23(35)30-18-10-4-6-14-5-1-2-9-17(14)18/h1-11,19H,12-13H2,(H,27,34)(H,29,31)(H,30,35)(H,32,33)(H4,25,26,28)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	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 vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISA				J Med Chem 61: 4791-4809 (2018) Article DOI: 10.1021/acs.jmedchem.8b00004 BindingDB Entry DOI: 10.7270/Q22J6FCB
					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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50062351 ((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of California-Riverside Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP12 catalytic domain (Gly106 to Gly26 residues) expressed in Escherichia coli BL21 codon plus using Mca-Pro-Leu-Gly...				ACS Med Chem Lett 9: 137-142 (2018) Article DOI: 10.1021/acsmedchemlett.7b00483 BindingDB Entry DOI: 10.7270/Q29Z97F6
					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
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
Programmed cell death 1 ligand/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM50582862 (CHEMBL5081456) Show SMILES Cc1c(COc2ccc(CN3CCCC[C@H]3C(=O)NCCN)c(OCc3cccc(c3)C#N)c2)cccc1-c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt 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					Assay Description Inhibition of PD-1/PDL-1 (unknown origin) binding				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01409 BindingDB Entry DOI: 10.7270/Q22R3WJW
					More data for this Ligand-Target Pair

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