BDBM50018950 CHEMBL3287399

SMILES: Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl

InChI Key: InChIKey=CALYWAMIHCNUMA-UHFFFAOYSA-N

Data: 3 KI  2 EC50

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 = 50018950   

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))	BDBM50018950 (CHEMBL3287399) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells by competitive binding assay				J Med Chem 57: 4861-75 (2014) Article DOI: 10.1021/jm5004039 BindingDB Entry DOI: 10.7270/Q2SN0BH5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50018950 (CHEMBL3287399) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells by competitive binding assay				J Med Chem 57: 4861-75 (2014) Article DOI: 10.1021/jm5004039 BindingDB Entry DOI: 10.7270/Q2SN0BH5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50018950 (CHEMBL3287399) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells by competitive binding assay				J Med Chem 57: 4861-75 (2014) Article DOI: 10.1021/jm5004039 BindingDB Entry DOI: 10.7270/Q2SN0BH5
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50018950 (CHEMBL3287399) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor transiently expressed in HEK293 cells co-expressing Galphao1 after 30 mins by [35S]GTPgammaS binding a...				J Med Chem 57: 4861-75 (2014) Article DOI: 10.1021/jm5004039 BindingDB Entry DOI: 10.7270/Q2SN0BH5
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50018950 (CHEMBL3287399) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4c(C=O)cnn4c3)CC2)c1Cl Show InChI InChI=1S/C22H24Cl2N4O2/c23-19-4-3-5-21(22(19)24)27-11-9-26(10-12-27)8-1-2-13-30-18-6-7-20-17(16-29)14-25-28(20)15-18/h3-7,14-16H,1-2,8-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Agonist activity at human dopamine D2 short receptor transiently expressed in HEK293 cells co-expressing Galphai2 after 30 mins by [35S]GTPgammaS bin...				J Med Chem 57: 4861-75 (2014) Article DOI: 10.1021/jm5004039 BindingDB Entry DOI: 10.7270/Q2SN0BH5
					More data for this Ligand-Target Pair