BDBM50154889 CHEMBL3774783::US10273244, Example 120::US10584135, Example 120

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1

InChI Key: InChIKey=MGPBHFVVGJDFMY-UHFFFAOYSA-N

Data: 10 KI  3 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 13 hits for monomerid = 50154889   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description [3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...				US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description 3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...				US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m...				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50154889 (CHEMBL3774783 | US10273244, Example 120 | US105841...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1 Show InChI InChI=1S/C23H26F3N7S/c1-31-21(18-13-27-8-9-28-18)29-30-22(31)34-12-4-10-32-14-16-7-11-33(20(16)15-32)19-6-3-2-5-17(19)23(24,25)26/h2-3,5-6,8-9,13,16,20H,4,7,10-12,14-15H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay				Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV
					More data for this Ligand-Target Pair