BDBM50004785 CHEMBL217693::Porphyrin analogue

SMILES: Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c4C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c3CCC(O)=O

InChI Key: InChIKey=HKGVIJBMCWGFPB-YZVXDUIWSA-N

Data: 3 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 3 hits for monomerid = 50004785   

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 1 protease (Human immunodeficiency virus type 1)	BDBM50004785 (CHEMBL217693 | Porphyrin analogue) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c4C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c3CCC(O)=O Show InChI InChI=1S/C62H54N4O12/c1-35-43(25-27-55(67)68)49-32-50-44(26-28-56(69)70)36(2)46(64-50)30-51-58(54(78-62(74)42-23-15-8-16-24-42)34-76-60(72)40-19-11-6-12-20-40)38(4)48(66-51)31-52-57(37(3)47(65-52)29-45(35)63-49)53(77-61(73)41-21-13-7-14-22-41)33-75-59(71)39-17-9-5-10-18-39/h5-24,29-32,53-54,65-66H,25-28,33-34H2,1-4H3,(H,67,68)(H,69,70)/b45-29-,46-30-,47-29-,48-31-,49-32-,50-32-,51-30-,52-31-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	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)	BDBM50004785 (CHEMBL217693 | Porphyrin analogue) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c4C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c3CCC(O)=O Show InChI InChI=1S/C62H54N4O12/c1-35-43(25-27-55(67)68)49-32-50-44(26-28-56(69)70)36(2)46(64-50)30-51-58(54(78-62(74)42-23-15-8-16-24-42)34-76-60(72)40-19-11-6-12-20-40)38(4)48(66-51)31-52-57(37(3)47(65-52)29-45(35)63-49)53(77-61(73)41-21-13-7-14-22-41)33-75-59(71)39-17-9-5-10-18-39/h5-24,29-32,53-54,65-66H,25-28,33-34H2,1-4H3,(H,67,68)(H,69,70)/b45-29-,46-30-,47-29-,48-31-,49-32-,50-32-,51-30-,52-31-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	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 2 pol protein (Human immunodeficiency virus 2)	BDBM50004785 (CHEMBL217693 | Porphyrin analogue) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c4C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c(C)c3CCC(O)=O Show InChI InChI=1S/C62H54N4O12/c1-35-43(25-27-55(67)68)49-32-50-44(26-28-56(69)70)36(2)46(64-50)30-51-58(54(78-62(74)42-23-15-8-16-24-42)34-76-60(72)40-19-11-6-12-20-40)38(4)48(66-51)31-52-57(37(3)47(65-52)29-45(35)63-49)53(77-61(73)41-21-13-7-14-22-41)33-75-59(71)39-17-9-5-10-18-39/h5-24,29-32,53-54,65-66H,25-28,33-34H2,1-4H3,(H,67,68)(H,69,70)/b45-29-,46-30-,47-29-,48-31-,49-32-,50-32-,51-30-,52-31-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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