BDBM50461429 CHEMBL4227326

SMILES: [H][C@]12[C@@H](CC[C@]1(CNCCc1ccccn1)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=IPORZYJGANVTDB-KRMOPOIMSA-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 = 50461429   

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...)	BDBM50461429 (CHEMBL4227326) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCc1ccccn1)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:32| Show InChI InChI=1S/C44H60N2O2/c1-29(2)33-17-23-44(28-45-27-20-32-10-8-9-26-46-32)25-24-42(6)35(38(33)44)15-16-37-41(5)21-18-34(30-11-13-31(14-12-30)39(47)48)40(3,4)36(41)19-22-43(37,42)7/h8-14,18,26,33,35-38,45H,1,15-17,19-25,27-28H2,2-7H3,(H,47,48)/t33-,35+,36-,37+,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	16	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...)	BDBM50461429 (CHEMBL4227326) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCc1ccccn1)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:32| Show InChI InChI=1S/C44H60N2O2/c1-29(2)33-17-23-44(28-45-27-20-32-10-8-9-26-46-32)25-24-42(6)35(38(33)44)15-16-37-41(5)21-18-34(30-11-13-31(14-12-30)39(47)48)40(3,4)36(41)19-22-43(37,42)7/h8-14,18,26,33,35-38,45H,1,15-17,19-25,27-28H2,2-7H3,(H,47,48)/t33-,35+,36-,37+,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	19	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...)	BDBM50461429 (CHEMBL4227326) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCc1ccccn1)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:32| Show InChI InChI=1S/C44H60N2O2/c1-29(2)33-17-23-44(28-45-27-20-32-10-8-9-26-46-32)25-24-42(6)35(38(33)44)15-16-37-41(5)21-18-34(30-11-13-31(14-12-30)39(47)48)40(3,4)36(41)19-22-43(37,42)7/h8-14,18,26,33,35-38,45H,1,15-17,19-25,27-28H2,2-7H3,(H,47,48)/t33-,35+,36-,37+,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	8	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