BDBM314028 US10167299, Example 142

SMILES: CNC(=O)c1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCC1

InChI Key: InChIKey=BNWFVBYZJZHVLY-JVLTXYAPSA-N

Data: 1 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 1 hit for monomerid = 314028   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM314028 (US10167299, Example 142) Show SMILES CNC(=O)c1ccc(s1)[C@H](CCN1C2CCC1CC(C2)n1c(C)nnc1C(C)C)NC(=O)C1CCCC1 |r,TLB:20:18:12:14.15| Show InChI InChI=1S/C28H42N6O2S/c1-17(2)26-32-31-18(3)34(26)22-15-20-9-10-21(16-22)33(20)14-13-23(30-27(35)19-7-5-6-8-19)24-11-12-25(37-24)28(36)29-4/h11-12,17,19-23H,5-10,13-16H2,1-4H3,(H,29,36)(H,30,35)/t20?,21?,22?,23-/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	9.55	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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