BDBM461227 US10774053, Compound 265

SMILES: CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2cc(cn2)C#N)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F

InChI Key: InChIKey=BGBAKULBBCPHEZ-GUZYMRFCSA-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 = 461227   

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...)	BDBM461227 (US10774053, Compound 265) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2cc(cn2)C#N)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C35H36ClF2N9O3/c1-33(2,3)20-35(25-8-5-22(6-9-25)24-16-42-46(18-24)30(37)38)29(48)47(31(40)43-35)28(19-50-32(49)44-34(4)11-12-34)23-7-10-26(36)27(13-23)45-17-21(14-39)15-41-45/h5-10,13,15-18,28,30H,11-12,19-20H2,1-4H3,(H2,40,43)(H,44,49)/t28-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	17.9	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...)	BDBM461227 (US10774053, Compound 265) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-n2cc(cn2)C#N)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C35H36ClF2N9O3/c1-33(2,3)20-35(25-8-5-22(6-9-25)24-16-42-46(18-24)30(37)38)29(48)47(31(40)43-35)28(19-50-32(49)44-34(4)11-12-34)23-7-10-26(36)27(13-23)45-17-21(14-39)15-41-45/h5-10,13,15-18,28,30H,11-12,19-20H2,1-4H3,(H2,40,43)(H,44,49)/t28-,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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