Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Mast cell carboxypeptidase A'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50281176 ((S)-2-Mercaptomethyl-3-phenyl-propionic acid | 2-T...) Show SMILES OC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid UniChem Similars	Article	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against carboxypeptidase A				Bioorg Med Chem Lett 3: 2681-2684 (1993) Article DOI: 10.1016/S0960-894X(01)80741-1 BindingDB Entry DOI: 10.7270/Q2GM876S
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50121929 ((phenylmethyl)butanedioic acid | 2-benzylbutanedio...) Show SMILES OC(=O)CC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of Carboxypeptidase A				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50121917 (2-Benzyl-pentanedioic acid | CHEMBL153232) Show SMILES OC(=O)CCC(Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H14O4/c13-11(14)7-6-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)(H,15,16)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of Carboxypeptidase A				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50058391 ((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C24H32F3N3O5/c1-13(2)18(20(31)24(25,26)27)28-22(33)17-7-6-12-30(17)23(34)19(14(3)4)29-21(32)15-8-10-16(35-5)11-9-15/h8-11,13-14,17-19H,6-7,12H2,1-5H3,(H,28,33)(H,29,32)/t17-,18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of the compound for carboxypeptidase A				J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50188513 ((S)-6-Amino-2-(2-amino-acetylamino)-hexanoic acid ...) Show SMILES NCCCC[C@H](NC(=O)CN)C(O)=O Show InChI InChI=1S/C8H17N3O3/c9-4-2-1-3-6(8(13)14)11-7(12)5-10/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against Carboxypeptidase A				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair
Mast cell carboxypeptidase A (Homo sapiens (Human))	BDBM50473781 (Succinic acid monobenzyl ester) Show SMILES OC(=O)CCC(=O)OCc1ccccc1 Show InChI InChI=1S/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against Carboxypeptidase A				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair