BDBM27605 4-[4-(2-{[4-(4-tert-butyl-2-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]oxy}acetamido)-3-chlorophenyl]-2,2-dimethylbut-3-ynoic acid::pyrazolyl compound, 43

SMILES: Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)C(O)=O)c1-c1ccc(cc1Cl)C(C)(C)C

InChI Key: InChIKey=VIKLGGPFTSLKCS-UHFFFAOYSA-N

Data: 2 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 = 27605   

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 [588-1027,K691N,Y769C]/[588-1147,K691N,Y769C] (Human immunodeficiency virus type 1)	BDBM27605 (4-[4-(2-{[4-(4-tert-butyl-2-chlorophenyl)-5-methyl...) Show SMILES Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)C(O)=O)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;12.2,4.04,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)| Show InChI InChI=1S/C28H29Cl2N3O4/c1-16-24(19-9-8-18(14-20(19)29)27(2,3)4)25(33-32-16)37-15-23(34)31-22-10-7-17(13-21(22)30)11-12-28(5,6)26(35)36/h7-10,13-14H,15H2,1-6H3,(H,31,34)(H,32,33)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	73	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres...				Bioorg Med Chem Lett 19: 1199-205 (2009) Article DOI: 10.1016/j.bmcl.2008.12.074 BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27605 (4-[4-(2-{[4-(4-tert-butyl-2-chlorophenyl)-5-methyl...) Show SMILES Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)C(O)=O)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;12.2,4.04,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)| Show InChI InChI=1S/C28H29Cl2N3O4/c1-16-24(19-9-8-18(14-20(19)29)27(2,3)4)25(33-32-16)37-15-23(34)31-22-10-7-17(13-21(22)30)11-12-28(5,6)26(35)36/h7-10,13-14H,15H2,1-6H3,(H,31,34)(H,32,33)(H,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.4	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...				Bioorg Med Chem Lett 19: 1199-205 (2009) Article DOI: 10.1016/j.bmcl.2008.12.074 BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
					More data for this Ligand-Target Pair