BDBM50394595 CHEMBL2164203

SMILES: CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C

InChI Key: InChIKey=JVBGFQFFBPVDIF-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 = 50394595   

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))	BDBM50394595 (CHEMBL2164203) Show SMILES CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C24H34ClN5O2S/c1-16-13-21(25)28-18(3)22(16)23(31)27-9-5-17(2)29-10-6-20(7-11-29)30(24(32)26-4)14-19-8-12-33-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,32)(H,27,31)/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	1.60E+3	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))	BDBM50394595 (CHEMBL2164203) Show SMILES CNC(=O)N(Cc1ccsc1)C1CCN(CC1)[C@H](C)CCNC(=O)c1c(C)cc(Cl)nc1C |r| Show InChI InChI=1S/C24H34ClN5O2S/c1-16-13-21(25)28-18(3)22(16)23(31)27-9-5-17(2)29-10-6-20(7-11-29)30(24(32)26-4)14-19-8-12-33-15-19/h8,12-13,15,17,20H,5-7,9-11,14H2,1-4H3,(H,26,32)(H,27,31)/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	0.300	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