BDBM50426502 Bodilisant::CHEMBL2323582

SMILES: CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=HPRWHXGAJGUOCP-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50426502   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK-293 cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO-K1 cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO-K1 cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50426502 (Bodilisant | CHEMBL2323582) Show SMILES CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7| Show InChI InChI=1S/C27H34BF2N3O/c1-19-17-21(3)32-26(19)25(27-20(2)18-22(4)33(27)28(32,29)30)23-9-11-24(12-10-23)34-16-8-15-31-13-6-5-7-14-31/h9-12,17-18H,5-8,13-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells				ACS Med Chem Lett 4: 269-73 (2013) Article DOI: 10.1021/ml300383n BindingDB Entry DOI: 10.7270/Q2N87C3T
					More data for this Ligand-Target Pair