BDBM50461425 CHEMBL4227119

SMILES: [H][C@]12[C@@H](CC[C@]1(CNCCn1ccnc1)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=CNHYQGJAVGDHDM-GXYXSIBPSA-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 = 50461425   

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...)	BDBM50461425 (CHEMBL4227119) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCn1ccnc1)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:31| Show InChI InChI=1S/C42H59N3O2/c1-28(2)31-14-19-42(26-43-22-24-45-25-23-44-27-45)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(46)47)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,23,25,27,31,33-36,43H,1,12-14,16-22,24,26H2,2-7H3,(H,46,47)/t31-,33+,34-,35+,36+,39-,40+,41+,42+/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	3.20	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...)	BDBM50461425 (CHEMBL4227119) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCn1ccnc1)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:31| Show InChI InChI=1S/C42H59N3O2/c1-28(2)31-14-19-42(26-43-22-24-45-25-23-44-27-45)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(46)47)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,23,25,27,31,33-36,43H,1,12-14,16-22,24,26H2,2-7H3,(H,46,47)/t31-,33+,34-,35+,36+,39-,40+,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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...)	BDBM50461425 (CHEMBL4227119) Show SMILES [H][C@]12[C@@H](CC[C@]1(CNCCn1ccnc1)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:31| Show InChI InChI=1S/C42H59N3O2/c1-28(2)31-14-19-42(26-43-22-24-45-25-23-44-27-45)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(46)47)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,23,25,27,31,33-36,43H,1,12-14,16-22,24,26H2,2-7H3,(H,46,47)/t31-,33+,34-,35+,36+,39-,40+,41+,42+/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	2.5	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