null

SMILES: C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12

InChI Key: InChIKey=ZEZPDHKACVMMCD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50246956   

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 4 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from CXCR4 in human CEM cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Rattus norvegicus (Rat))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migration				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Rattus norvegicus (Rat))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 7 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CCR7 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant ERG in CHOK1 cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50246956 (1,3-dicyclohexyl-2-((5,6-dihydroimidazo[2,1-b]thia...) Show SMILES C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22| Show InChI InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 51: 7915-20 (2008) Article DOI: 10.1021/jm801065q BindingDB Entry DOI: 10.7270/Q2JD4WNH
					More data for this Ligand-Target Pair