Compile Data Set for Download or QSAR

Found 1601 hits with Last Name = 'dive' and Initial = 'v'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50082556 ((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...) Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-2				J Med Chem 47: 325-36 (2004) Article DOI: 10.1021/jm0308491 BindingDB Entry DOI: 10.7270/Q27080V1
					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
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM21464 (2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...) Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	6.8	25
University of Athens					Assay Description Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					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))	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
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)
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
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))	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
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
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 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 (Bos taurus (bovine))	BDBM21471 (2-benzyl-3-{[1-(2-acetamido-4-methylpentanamido)-2...) Show SMILES CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens					Assay Description Inhibitor potencies toward bovine carboxypeptidase A (Sigma-Aldrich Co) were determined in 96-well microplates format. Activity was monitored by meas...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50303321 ((2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38N3O8P/c42-36(39-34(37(43)44)21-27-13-5-1-6-14-27)31(23-32-24-33(41-49-32)30-19-11-4-12-20-30)26-50(46,47)35(22-28-15-7-2-8-16-28)40-38(45)48-25-29-17-9-3-10-18-29/h1-20,24,31,34-35H,21-23,25-26H2,(H,39,42)(H,40,45)(H,43,44)(H,46,47)/t31-,34+,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE C-terminal domain				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM21474 (3-({1-[2-acetamido-3-(1H-imidazol-4-yl)propanoyl]p...) Show SMILES CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O |c:17| Show InChI InChI=1S/C25H30N5O7P/c1-16(31)28-22(11-19-13-26-15-27-19)24(32)30-9-5-8-23(30)38(35,36)14-18(25(33)34)10-20-12-21(29-37-20)17-6-3-2-4-7-17/h2-4,6-8,12-13,15,18,22,35-36,38H,5,9-11,14H2,1H3,(H,26,27)(H,28,31)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	6.8	25
University of Athens					Assay Description Continuous assays were performed by recording the fluorescence increase at 405 nm (excitation@ 320 nm) induced by the cleavage of fluorogenic substra...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50303319 ((S)-2-[(S)-3-[((R)-1-Benzyloxycarbonylamino-2-phen...) Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34+,35-/m1/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	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ACE C-terminal domain				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
					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))	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 (Bos taurus (bovine))	BDBM21464 (2-benzyl-3-{[1-(2-acetamido-4-methylpentanoyl)pyrr...) Show SMILES CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14| Show InChI InChI=1S/C22H33N2O6P/c1-15(2)12-19(23-16(3)25)21(26)24-11-7-10-20(24)31(29,30)14-18(22(27)28)13-17-8-5-4-6-9-17/h4-6,8-10,15,18-19,29-31H,7,11-14H2,1-3H3,(H,23,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens					Assay Description Inhibitor potencies toward bovine carboxypeptidase A (Sigma-Aldrich Co) were determined in 96-well microplates format. Activity was monitored by meas...				J Med Chem 51: 2216-2226 (2008) Article DOI: 10.1021/jm701275z BindingDB Entry DOI: 10.7270/Q2QF8R4J
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50078937 ((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...) Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-8				J Med Chem 42: 2610-20 (1999) Article DOI: 10.1021/jm9900164 BindingDB Entry DOI: 10.7270/Q22B8X71
					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

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