BDBM461044 US10774053, Compound 178

SMILES: CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F

InChI Key: InChIKey=PBLXLMRRRQEDTA-QCBOHVIISA-N

Data: 1 IC50  1 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 2 hits for monomerid = 461044   

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
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM461044 (US10774053, Compound 178) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C34H36ClF4N9O3/c1-32(2,3)17-34(22-8-5-19(6-9-22)21-14-42-46(15-21)29(38)39)28(49)47(30(40)44-34)25(16-51-31(50)45-33(4)11-12-33)20-7-10-23(35)24(13-20)48-27(26(36)37)41-18-43-48/h5-10,13-15,18,25-26,29H,11-12,16-17H2,1-4H3,(H2,40,44)(H,45,50)/t25-,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.99	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Assay protocol is identical to that described for the MT-4 antiviral assay with the following changes: Each drug is run in 2 series of quadruplicates...				US Patent US10774053 (2020)
					More data for this Ligand-Target Pair
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM461044 (US10774053, Compound 178) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2ncnc2C(F)F)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C34H36ClF4N9O3/c1-32(2,3)17-34(22-8-5-19(6-9-22)21-14-42-46(15-21)29(38)39)28(49)47(30(40)44-34)25(16-51-31(50)45-33(4)11-12-33)20-7-10-23(35)24(13-20)48-27(26(36)37)41-18-43-48/h5-10,13-15,18,25-26,29H,11-12,16-17H2,1-4H3,(H2,40,44)(H,45,50)/t25-,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in a high-throughput 384-well assay format for their ability to inhibit the replication of HIV-1 (IIIB) in MT-4 cells. Compound...				US Patent US10774053 (2020)
					More data for this Ligand-Target Pair