BDBM50004779 3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1,2-dihydroxy-ethyl)-3,7,12,17-tetramethyl-porphyrin-2-yl]-propionic acid::3-[18-(2-Carboxy-ethyl)-8,13-bis-(1,2-dihydroxy-ethyl)-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid::CHEMBL12659

SMILES: Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O

InChI Key: InChIKey=IYQQDYYJPFBTRQ-LNKBXFQTSA-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 = 50004779   

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)	BDBM50004779 (3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1...) Show SMILES Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O Show InChI InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,36,38-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-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)	BDBM50004779 (3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1...) Show SMILES Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O Show InChI InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,36,38-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80E+5	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 2 pol protein (Human immunodeficiency virus 2)	BDBM50004779 (3-[(1Z,4Z,9Z,15Z)-18-(2-Carboxy-ethyl)-8,13-bis-(1...) Show SMILES Cc1c(CCC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5C(O)CO)c(C)c4C(O)CO)c(C)c3CCC(O)=O Show InChI InChI=1S/C34H38N4O8/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25/h9-12,29-30,36,38-42H,5-8,13-14H2,1-4H3,(H,43,44)(H,45,46)/b21-9-,22-10-,23-9-,24-11-,25-12-,26-12-,27-10-,28-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.80E+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