Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM313991'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM313991 (US10167299, Example 43) Show SMILES CC(C)C(=O)N1CCc2c(C1)nc(C)n2C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:23:22:15.21.16:18.19,14:15:22:18.19| Show InChI InChI=1S/C32H45F2N5O2S/c1-20(2)31(41)37-13-9-29-28(18-37)35-21(3)39(29)26-16-24-4-5-25(17-26)38(24)14-8-27(23-10-15-42-19-23)36-30(40)22-6-11-32(33,34)12-7-22/h10,15,19-20,22,24-27H,4-9,11-14,16-18H2,1-3H3,(H,36,40)/t24?,25?,26?,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.34	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description 1. HEK293 cells which can stably express CCR5 were inoculated in a 96-well plate and incubated overnight.2. The medium in each well into which cells ...				US Patent US10167299 (2019) BindingDB Entry DOI: 10.7270/Q2V126X2
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