BDBM461186 US10774053, Compound 236

SMILES: CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F

InChI Key: InChIKey=ZIFLPSUVMSZPHJ-NLGDKJDOSA-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 = 461186   

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...)	BDBM461186 (US10774053, Compound 236) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C33H33ClF5N9O3/c1-30(2,3)16-32(22-7-4-19(5-8-22)21-13-42-46(14-21)27(35)36)26(49)48(28(40)44-32)25(15-51-29(50)45-31(10-11-31)33(37,38)39)20-6-9-23(34)24(12-20)47-18-41-17-43-47/h4-9,12-14,17-18,25,27H,10-11,15-16H2,1-3H3,(H2,40,44)(H,45,50)/t25-,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10.6	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...)	BDBM461186 (US10774053, Compound 236) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(CC2)C(F)(F)F)c2ccc(Cl)c(c2)-n2cncn2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C33H33ClF5N9O3/c1-30(2,3)16-32(22-7-4-19(5-8-22)21-13-42-46(14-21)27(35)36)26(49)48(28(40)44-32)25(15-51-29(50)45-31(10-11-31)33(37,38)39)20-6-9-23(34)24(12-20)47-18-41-17-43-47/h4-9,12-14,17-18,25,27H,10-11,15-16H2,1-3H3,(H2,40,44)(H,45,50)/t25-,32-/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