BDBM50539475 CHEMBL4646120

SMILES: [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(Cl)cccc2s1

InChI Key: InChIKey=MRQNGMOMCQMMDB-NNZMDNLPSA-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 = 50539475   

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-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539475 (CHEMBL4646120) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(Cl)cccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30ClN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of forskolin-induced cAMP accumulation by DiscoveRx cell based assa...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 6 (Homo sapiens)	BDBM50539475 (CHEMBL4646120) Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1cc(OC)c(OC)c(OC)c1)N2Cc1nc2c(Cl)cccc2s1 |r,TLB:10:8:25:4.2.3| Show InChI InChI=1S/C26H30ClN3O4S/c1-32-20-10-15(11-21(33-2)25(20)34-3)26(31)28-16-12-17-6-4-7-18(13-16)30(17)14-23-29-24-19(27)8-5-9-22(24)35-23/h5,8-11,16-18H,4,6-7,12-14H2,1-3H3,(H,28,31)/t16-,17-,18+	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Sanford Burnham Prebys Medical Discovery Institute Curated by ChEMBL					Assay Description Antagonist activity at Prolink-tagged human CXCR6 receptor assessed as inhibition of CXCL16-induced beta-arrestin recruitment by DiscoveRx cell based...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair