BDBM50530227 CHEMBL4454162

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

InChI Key: InChIKey=FDTJRQKLOALWEP-JBBQQGGESA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50530227   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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
					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
					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
					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
					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
					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
					More data for this Ligand-Target Pair
Carboxypeptidase A4 (Homo sapiens)	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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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
					More data for this Ligand-Target Pair
Carboxypeptidase A4 (Homo sapiens)	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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	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 Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	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
					More data for this Ligand-Target Pair
Carboxypeptidase A2 (Homo sapiens)	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 Reactome pathway UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70	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
					More data for this Ligand-Target Pair