BDBM50461421 CHEMBL3828596

SMILES: [H][C@]12[C@@H](CC[C@]1(CNCCCN1CCCC1=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C

InChI Key: InChIKey=AJMWAACBYKBICN-VREVVNBHSA-N

Data: 1 IC50  2 EC50

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 = 50461421   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50461421 (CHEMBL3828596) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCCN1CCCC1=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r,t:33| Show InChI InChI=1S/C44H64N2O3/c1-29(2)32-17-22-44(28-45-25-9-27-46-26-8-10-37(46)47)24-23-42(6)34(38(32)44)15-16-36-41(5)20-18-33(30-11-13-31(14-12-30)39(48)49)40(3,4)35(41)19-21-43(36,42)7/h11-14,18,32,34-36,38,45H,1,8-10,15-17,19-28H2,2-7H3,(H,48,49)/t32-,34+,35-,36+,38+,41-,42+,43+,44+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.680	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...				Bioorg Med Chem Lett 28: 1550-1557 (2018) Article DOI: 10.1016/j.bmcl.2018.03.067 BindingDB Entry DOI: 10.7270/Q29G5QFN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50461421 (CHEMBL3828596) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCCN1CCCC1=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r,t:33| Show InChI InChI=1S/C44H64N2O3/c1-29(2)32-17-22-44(28-45-25-9-27-46-26-8-10-37(46)47)24-23-42(6)34(38(32)44)15-16-36-41(5)20-18-33(30-11-13-31(14-12-30)39(48)49)40(3,4)35(41)19-21-43(36,42)7/h11-14,18,32,34-36,38,45H,1,8-10,15-17,19-28H2,2-7H3,(H,48,49)/t32-,34+,35-,36+,38+,41-,42+,43+,44+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CA-SP1 P373S/V370A double mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation ...				Bioorg Med Chem Lett 28: 1550-1557 (2018) Article DOI: 10.1016/j.bmcl.2018.03.067 BindingDB Entry DOI: 10.7270/Q29G5QFN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM50461421 (CHEMBL3828596) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCCN1CCCC1=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C |r,t:33| Show InChI InChI=1S/C44H64N2O3/c1-29(2)32-17-22-44(28-45-25-9-27-46-26-8-10-37(46)47)24-23-42(6)34(38(32)44)15-16-36-41(5)20-18-33(30-11-13-31(14-12-30)39(48)49)40(3,4)35(41)19-21-43(36,42)7/h11-14,18,32,34-36,38,45H,1,8-10,15-17,19-28H2,2-7H3,(H,48,49)/t32-,34+,35-,36+,38+,41-,42+,43+,44+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring ...				Bioorg Med Chem Lett 28: 1550-1557 (2018) Article DOI: 10.1016/j.bmcl.2018.03.067 BindingDB Entry DOI: 10.7270/Q29G5QFN
					More data for this Ligand-Target Pair