BDBM460930 US10774053, Compound 43

SMILES: CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncnn2C2CC2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F

InChI Key: InChIKey=QYKCEACKZWPLGG-XVODIUIHSA-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 = 460930   

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...)	BDBM460930 (US10774053, Compound 43) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncnn2C2CC2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C36H40ClF2N9O3/c1-34(2,3)19-36(24-8-5-21(6-9-24)23-16-42-46(17-23)31(38)39)30(49)47(32(40)44-36)28(18-51-33(50)45-35(4)13-14-35)22-7-12-27(37)26(15-22)29-41-20-43-48(29)25-10-11-25/h5-9,12,15-17,20,25,28,31H,10-11,13-14,18-19H2,1-4H3,(H2,40,44)(H,45,50)/t28-,36-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8.18	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...)	BDBM460930 (US10774053, Compound 43) Show SMILES CC(C)(C)C[C@@]1(NC(=N)N([C@H](COC(=O)NC2(C)CC2)c2ccc(Cl)c(c2)-c2ncnn2C2CC2)C1=O)c1ccc(cc1)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C36H40ClF2N9O3/c1-34(2,3)19-36(24-8-5-21(6-9-24)23-16-42-46(17-23)31(38)39)30(49)47(32(40)44-36)28(18-51-33(50)45-35(4)13-14-35)22-7-12-27(37)26(15-22)29-41-20-43-48(29)25-10-11-25/h5-9,12,15-17,20,25,28,31H,10-11,13-14,18-19H2,1-4H3,(H2,40,44)(H,45,50)/t28-,36-/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