BDBM50394588 CHEMBL2164210

SMILES: CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N

InChI Key: InChIKey=RMGICGFOXRNYOB-QGZVFWFLSA-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 = 50394588   

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))	BDBM50394588 (CHEMBL2164210) Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N |r| Show InChI InChI=1S/C24H31ClN6O3S/c1-16-12-19(13-26)28-22(25)21(16)23(32)27-8-4-17(2)30-9-5-20(6-10-30)31(24(33)29-34-3)14-18-7-11-35-15-18/h7,11-12,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,29,33)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant hERG expressed in CHO cells by automated patch clamp assay				ACS Med Chem Lett 3: 216-221 (2012) Article DOI: 10.1021/ml2002604 BindingDB Entry DOI: 10.7270/Q2T43V6M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50394588 (CHEMBL2164210) Show SMILES CONC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(nc1Cl)C#N |r| Show InChI InChI=1S/C24H31ClN6O3S/c1-16-12-19(13-26)28-22(25)21(16)23(32)27-8-4-17(2)30-9-5-20(6-10-30)31(24(33)29-34-3)14-18-7-11-35-15-18/h7,11-12,15,17,20H,4-6,8-10,14H2,1-3H3,(H,27,32)(H,29,33)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at CCR5 receptor expressed in P4R5 cells co-expressing CD4, and LTR-beta-gal construct assessed as inhibition of infusion to HIV ...				ACS Med Chem Lett 3: 216-221 (2012) Article DOI: 10.1021/ml2002604 BindingDB Entry DOI: 10.7270/Q2T43V6M
					More data for this Ligand-Target Pair