BDBM50004778 3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid::CHEMBL326831

SMILES: Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O

InChI Key: InChIKey=PFJCIZMGZQBSQR-QGQUFCMSSA-N

Data: 12 IC50

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 12 hits for monomerid = 50004778   

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
Pepsinogen A5 (Homo sapiens (Human))	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against pepsin				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein (Human immunodeficiency virus 2)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-2 protease in 5%DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against cathepsin D				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-2 protease				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against renin				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 protease				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in 5%DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 protease in the absence of DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity against HIV-1 protease				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 protease in the absence of DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 2 pol protein (Human immunodeficiency virus 2)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-2 protease in 5%DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1)	BDBM50004778 (3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-diacetoxy-et...) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4C(COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(O)=O |t:35,42,55,62| Show InChI InChI=1S/C50H46N4O12/c1-23-31(13-15-43(55)56)37-20-38-32(14-16-44(57)58)24(2)34(52-38)18-39-46(42(66-50(62)30-11-12-30)22-64-48(60)28-7-8-28)26(4)36(54-39)19-40-45(25(3)35(53-40)17-33(23)51-37)41(65-49(61)29-9-10-29)21-63-47(59)27-5-6-27/h5,7,9,11,17-20,41-42,53-54H,6,8,10,12-16,21-22H2,1-4H3,(H,55,56)(H,57,58)/b33-17-,34-18-,35-17-,36-19-,37-20-,38-20-,39-18-,40-19-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration against HIV-1 protease in the absence of DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair