BDBM50154870 CHEMBL3775771::US10273244, Example 99::US10584135, Example 99

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1

InChI Key: InChIKey=XDPJGUWWXSDVTP-UHFFFAOYSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50154870   

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))	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.29	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))	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.29	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))	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	646	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))	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	646	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50154870 (CHEMBL3775771 | US10273244, Example 99 | US1058413...) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cccc2F)nnc1-c1cnccn1 Show InChI InChI=1S/C22H25F2N7S/c1-29-21(18-12-25-7-8-26-18)27-28-22(29)32-11-3-9-30-13-15-6-10-31(19(15)14-30)20-16(23)4-2-5-17(20)24/h2,4-5,7-8,12,15,19H,3,6,9-11,13-14H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.51E+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