BDBM50250807 CHEMBL4073927

SMILES: Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1

InChI Key: InChIKey=ZFMUBWAYZJMZAS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50250807   

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))	BDBM50250807 (CHEMBL4073927) Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1 Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method				J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50250807 (CHEMBL4073927) Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1 Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation count...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50250807 (CHEMBL4073927) Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1 Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	587	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method				J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50250807 (CHEMBL4073927) Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1 Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]IABN from recombinant human D2 long receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation ...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50250807 (CHEMBL4073927) Show SMILES Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1 Show InChI InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method				J Med Chem 60: 9905-9910 (2017) Article DOI: 10.1021/acs.jmedchem.7b01248 BindingDB Entry DOI: 10.7270/Q21838X7
					More data for this Ligand-Target Pair