BDBM313970 US10167299, Example 20

SMILES: CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1ccsc1

InChI Key: InChIKey=BWGKFIQYNOWCMY-KQMCEJHESA-N

Data: 2 IC50

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 = 313970   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM313970 (US10167299, Example 20) Show SMILES CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1ccsc1 |r,wU:11.11,TLB:22:20:14:16.17,(-7.11,8.92,;-5.78,8.15,;-5.78,6.61,;-4.44,5.84,;-4.44,4.3,;-5.78,3.53,;-7.11,4.3,;-7.11,5.84,;-5.78,1.99,;-7.11,1.22,;-4.44,1.22,;-4.44,-.32,;-3.11,-1.09,;-1.77,-.32,;-.44,-1.09,;.65,-2.18,;.65,-3.72,;1.1,-2.63,;1.1,-1.09,;2.44,-.33,;3.53,-1.42,;1.99,-1.42,;4.3,-.08,;3.82,1.38,;2.49,2.15,;5.07,2.29,;6.31,1.38,;5.84,-.08,;6.61,-1.42,;5.84,-2.75,;8.15,-1.42,;-5.78,-1.09,;-7.24,-.61,;-8.15,-1.86,;-7.24,-3.11,;-5.78,-2.63,)| Show InChI InChI=1S/C29H45N5OS/c1-5-21-6-8-22(9-7-21)29(35)30-27(23-13-15-36-18-23)12-14-33-24-10-11-25(33)17-26(16-24)34-20(4)31-32-28(34)19(2)3/h13,15,18-19,21-22,24-27H,5-12,14,16-17H2,1-4H3,(H,30,35)/t21?,22?,24?,25?,26?,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.44E+4	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. CHO-hERG cells which have been incubated overnight were added with sample buffer and incubated for 90 minutes at room temperature in darkness.2. T...				US Patent US10167299 (2019) BindingDB Entry DOI: 10.7270/Q2V126X2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM313970 (US10167299, Example 20) Show SMILES CCC1CCC(CC1)C(=O)N[C@@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)c1ccsc1 |r,wU:11.11,TLB:22:20:14:16.17,(-7.11,8.92,;-5.78,8.15,;-5.78,6.61,;-4.44,5.84,;-4.44,4.3,;-5.78,3.53,;-7.11,4.3,;-7.11,5.84,;-5.78,1.99,;-7.11,1.22,;-4.44,1.22,;-4.44,-.32,;-3.11,-1.09,;-1.77,-.32,;-.44,-1.09,;.65,-2.18,;.65,-3.72,;1.1,-2.63,;1.1,-1.09,;2.44,-.33,;3.53,-1.42,;1.99,-1.42,;4.3,-.08,;3.82,1.38,;2.49,2.15,;5.07,2.29,;6.31,1.38,;5.84,-.08,;6.61,-1.42,;5.84,-2.75,;8.15,-1.42,;-5.78,-1.09,;-7.24,-.61,;-8.15,-1.86,;-7.24,-3.11,;-5.78,-2.63,)| Show InChI InChI=1S/C29H45N5OS/c1-5-21-6-8-22(9-7-21)29(35)30-27(23-13-15-36-18-23)12-14-33-24-10-11-25(33)17-26(16-24)34-20(4)31-32-28(34)19(2)3/h13,15,18-19,21-22,24-27H,5-12,14,16-17H2,1-4H3,(H,30,35)/t21?,22?,24?,25?,26?,27-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.14	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
					More data for this Ligand-Target Pair