Compile Data Set for Download or QSAR

Found 1211 hits with Last Name = 'devel' 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))	BDBM50259948 (CHEMBL4096462) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(=O)NO)Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(46-36-24)13-19(14-25(37)35-45)29(43)34-23(9-11-27(40)41)30(44)33-22(28(32)42)8-10-26(38)39/h1-7,12,15,19,22-23,45H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,35,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of human MMP13 catalytic domain using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 fluorogenic substrate by spectrophotometric analysis				J Med Chem 60: 403-414 (2017) Article DOI: 10.1021/acs.jmedchem.6b01420 BindingDB Entry DOI: 10.7270/Q24X5B7B
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Rattus norvegicus)	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat CPA3 using AAFP as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Rattus norvegicus)	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of rat CPA3 using AAFP as substrate preincubated for 45 mins measured at 30 sec intervals for 15 mins by UV/vis-spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530235 (CHEMBL4436298) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H37N2O6P/c1-19(2)16-24(28-20(3)30)26(31)29-25(17-22-12-8-5-9-13-22)36(34,35)18-23(27(32)33)15-14-21-10-6-4-7-11-21/h4-13,19,23-25H,14-18H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/t23-,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530235 (CHEMBL4436298) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H37N2O6P/c1-19(2)16-24(28-20(3)30)26(31)29-25(17-22-12-8-5-9-13-22)36(34,35)18-23(27(32)33)15-14-21-10-6-4-7-11-21/h4-13,19,23-25H,14-18H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/t23-,24+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530228 (CHEMBL4483485) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530228 (CHEMBL4483485) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase B (Homo sapiens (Human))	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPB1 using AAFA as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase B (Homo sapiens (Human))	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPB1 using AAFA as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530227 (CHEMBL4454162) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530227 (CHEMBL4454162) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530228 (CHEMBL4483485) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530228 (CHEMBL4483485) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530227 (CHEMBL4454162) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530227 (CHEMBL4454162) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate measured at pre-steady state by spectrophotometry				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM92441 (RXP470, 1 | RXP470, Compound 4) Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	-55.5	n/a	n/a	n/a	n/a	n/a	6.8	25
Commissariat à l'Energie Atomique					Assay Description Enzyme assay using matrix metalloproteinases.				J Biol Chem 285: 35900-9 (2010) Article DOI: 10.1074/jbc.M110.139634 BindingDB Entry DOI: 10.7270/Q25X27HV
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM92441 (RXP470, 1 | RXP470, Compound 4) Show SMILES NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23?,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	6.8	25
Commissariat á l'Energie Atomique					Assay Description Enzyme assay using human matrix metalloproteases or ADAMTS.				J Biol Chem 287: 26647-56 (2012) Article DOI: 10.1074/jbc.M112.380782 BindingDB Entry DOI: 10.7270/Q2H993SB
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	BDBM50530235 (CHEMBL4436298) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H37N2O6P/c1-19(2)16-24(28-20(3)30)26(31)29-25(17-22-12-8-5-9-13-22)36(34,35)18-23(27(32)33)15-14-21-10-6-4-7-11-21/h4-13,19,23-25H,14-18H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/t23-,24+,25-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	BDBM50530235 (CHEMBL4436298) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C27H37N2O6P/c1-19(2)16-24(28-20(3)30)26(31)29-25(17-22-12-8-5-9-13-22)36(34,35)18-23(27(32)33)15-14-21-10-6-4-7-11-21/h4-13,19,23-25H,14-18H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)(H,34,35)/t23-,24+,25-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50265078 ((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
CEA Curated by ChEMBL					Assay Description Inhibition of human MMP12 catalytic domain (98 to 266) at pH 6.8 by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530230 (CHEMBL4445882) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCc1ccc(cc1)\C(\C=C\C1=[N+](CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S(O)(=O)=O)=C/C=C1/N(CCCCS(O)(=O)=O)c2ccc3c(cc(cc3c2C1(C)C)S(O)(=O)=O)S([O-])(=O)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r,c:54| Show InChI InChI=1S/C87H109N6O32PS6/c1-58(126(101,102)57-64(85(99)100)23-17-59-13-7-6-8-14-59)90-84(98)72(51-61-18-26-65(94)27-19-61)91-81(97)56-125-48-47-123-42-37-89-80(96)35-40-121-43-45-124-46-44-122-41-36-88-79(95)34-20-60-15-21-62(22-16-60)63(24-32-77-86(2,3)82-70-52-66(129(109,110)111)54-75(131(115,116)117)68(70)28-30-73(82)92(77)38-9-11-49-127(103,104)105)25-33-78-87(4,5)83-71-53-67(130(112,113)114)55-76(132(118,119)120)69(71)29-31-74(83)93(78)39-10-12-50-128(106,107)108/h6-8,13-16,18-19,21-22,24-33,52-55,58,64,72H,9-12,17,20,23,34-51,56-57H2,1-5H3,(H12-,88,89,90,91,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118,119,120)/t58-,64-,72+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50265078 ((4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hy...) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C35H35BrClN4O10P/c36-24-8-10-27(11-9-24)52(49,50)19-23(34(47)40-29(13-15-32(44)45)35(48)39-28(33(38)46)12-14-31(42)43)17-26-18-30(41-51-26)21-6-4-20(5-7-21)22-2-1-3-25(37)16-22/h1-11,16,18,23,28-29H,12-15,17,19H2,(H2,38,46)(H,39,48)(H,40,47)(H,42,43)(H,44,45)(H,49,50)/t23-,28+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50426080 (CHEMBL2316257) Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1)C(N)=O |r| Show InChI InChI=1S/C31H31BrClN4O6P/c1-18(29(34)38)35-30(39)19(2)36-31(40)23(17-44(41,42)27-12-10-24(32)11-13-27)15-26-16-28(37-43-26)21-8-6-20(7-9-21)22-4-3-5-25(33)14-22/h3-14,16,18-19,23H,15,17H2,1-2H3,(H2,34,38)(H,35,39)(H,36,40)(H,41,42)/t18-,19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Binding affinity to human MMP12 catalytic domain (98 to 266) by isothermal titration calorimetry				J Med Chem 56: 1149-59 (2013) Article DOI: 10.1021/jm301574d BindingDB Entry DOI: 10.7270/Q24F1S24
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530237 (CHEMBL4513310) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H40N3O9P/c1-20(41(37,38)19-23(28(35)36)10-7-21-5-3-2-4-6-21)30-27(34)25(17-22-8-11-24(32)12-9-22)31-26(33)18-40-16-15-39-14-13-29/h2-6,8-9,11-12,20,23,25,32H,7,10,13-19,29H2,1H3,(H,30,34)(H,31,33)(H,35,36)(H,37,38)/t20-,23-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530237 (CHEMBL4513310) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCN)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C28H40N3O9P/c1-20(41(37,38)19-23(28(35)36)10-7-21-5-3-2-4-6-21)30-27(34)25(17-22-8-11-24(32)12-9-22)31-26(33)18-40-16-15-39-14-13-29/h2-6,8-9,11-12,20,23,25,32H,7,10,13-19,29H2,1H3,(H,30,34)(H,31,33)(H,35,36)(H,37,38)/t20-,23-,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM120258 (US8691753, 95 bis) Show SMILES NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N3O9S/c32-29(41)23(10-12-26(35)36)33-31(43)24(11-13-27(37)38)34-30(42)21(16-28(39)40)14-18-6-8-20(9-7-18)25-15-22(17-44-25)19-4-2-1-3-5-19/h1-9,15,17,21,23-24H,10-14,16H2,(H2,32,41)(H,33,43)(H,34,42)(H,35,36)(H,37,38)(H,39,40)/t21-,23+,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Commissariat A l'Energie Atomique et Aux Energies Alternatives US Patent					Assay Description The inhibition tests and the evaluation of the inhibition constants (Ki) on the various MMPs were carried out as described by Devel et al. (Devel et ...				US Patent US8691753 (2014) BindingDB Entry DOI: 10.7270/Q28P5Z5Q
					More data for this Ligand-Target Pair
Carboxypeptidase A4 (Homo sapiens)	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A4 (Homo sapiens)	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA4 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530227 (CHEMBL4454162) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530227 (CHEMBL4454162) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COCCOCCNC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C30H42N3O10P/c1-21(34)31-14-15-42-16-17-43-19-28(36)33-27(18-24-9-12-26(35)13-10-24)29(37)32-22(2)44(40,41)20-25(30(38)39)11-8-23-6-4-3-5-7-23/h3-7,9-10,12-13,22,25,27,35H,8,11,14-20H2,1-2H3,(H,31,34)(H,32,37)(H,33,36)(H,38,39)(H,40,41)/t22-,25-,27+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530228 (CHEMBL4483485) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50530228 (CHEMBL4483485) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA1 using AAFP as substrate assessed as apparent first-order rate constant measured at pre-steady state by measuring Koff/Kon ra...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carboxypeptidase A2 (Homo sapiens)	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	BDBM50530231 (CHEMBL4528407) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)P(O)(=O)C[C@@H](CCc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C21H33N2O6P/c1-14(2)12-19(22-15(3)24)20(25)23-16(4)30(28,29)13-18(21(26)27)11-10-17-8-6-5-7-9-17/h5-9,14,16,18-19H,10-13H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t16-,18-,19+/m1/s1	PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50555050 (CHEMBL4764575) Show SMILES CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO)cc2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate by spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01514 BindingDB Entry DOI: 10.7270/Q2PC361P
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	BDBM50530229 (CHEMBL4460840) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)P(O)(=O)C[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N2O6P/c1-18(2)14-23(27-19(3)29)25(30)28-24(16-21-12-8-5-9-13-21)35(33,34)17-22(26(31)32)15-20-10-6-4-7-11-20/h4-13,18,22-24H,14-17H2,1-3H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/t22-,23+,24-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Aut£noma de Barcelona Curated by ChEMBL					Assay Description Inhibition of human CPA2 using AAFP as substrate preincubated for 45 mins to 2 hrs measured at 30 sec intervals for 15 mins by UV/vis-spectrophotomet...				J Med Chem 62: 1917-1931 (2019) Article DOI: 10.1021/acs.jmedchem.8b01465 BindingDB Entry DOI: 10.7270/Q2K077R9
					More data for this Ligand-Target Pair

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