BDBM50378979 CHEMBL2011441

SMILES: COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1

InChI Key: InChIKey=TZYSLHTWOJFPSJ-UHFFFAOYSA-N

Data: 3 IC50  2 Kd

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 5 hits for monomerid = 50378979   

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))	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 after 1 min by SPR assay				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to C-terminus C9-tagged immobilized CCR5 by SPR analysis				ACS Med Chem Lett 2: 549-554 (2011) Article DOI: 10.1021/ml2000017 BindingDB Entry DOI: 10.7270/Q2X0682G
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Mus musculus)	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at mouse CCR4				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50378979 (CHEMBL2011441) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...				ACS Med Chem Lett 8: 981-986 (2017) Article DOI: 10.1021/acsmedchemlett.7b00315 BindingDB Entry DOI: 10.7270/Q2KD21DK
					More data for this Ligand-Target Pair