BDBM50004783 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::CHEMBL408667

SMILES: Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O

InChI Key: InChIKey=XWLXUFRSYMFDLQ-WNHXZLMMSA-N

Data: 5 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 5 hits for monomerid = 50004783   

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
Human immunodeficiency virus type 2 pol protein (Human immunodeficiency virus 2)	BDBM50004783 (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=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O |t:35,43,57,65| Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+3	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)	BDBM50004783 (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=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O |t:35,43,57,65| Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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 10% fetal calf serum(FCS)				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)	BDBM50004783 (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=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O |t:35,43,57,65| Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank 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-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)	BDBM50004783 (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=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O |t:35,43,57,65| Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank 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 HIV-2 protease				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)	BDBM50004783 (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=CCC1)OC(=O)C1=CCC1)c(C)c4C(COC(=O)C1=CCC1)OC(=O)C1=CCC1)c(C)c3CCC(O)=O |t:35,43,57,65| Show InChI InChI=1S/C54H54N4O12/c1-27-35(17-19-47(59)60)41-24-42-36(18-20-48(61)62)28(2)38(56-42)22-43-50(46(70-54(66)34-15-8-16-34)26-68-52(64)32-11-6-12-32)30(4)40(58-43)23-44-49(29(3)39(57-44)21-37(27)55-41)45(69-53(65)33-13-7-14-33)25-67-51(63)31-9-5-10-31/h9,11,13,15,21-24,45-46,57-58H,5-8,10,12,14,16-20,25-26H2,1-4H3,(H,59,60)(H,61,62)/b37-21-,38-22-,39-21-,40-23-,41-24-,42-24-,43-22-,44-23-	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	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 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