BDBM50236960 CHEMBL4060403

SMILES: Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl

InChI Key: InChIKey=PMBZPLQKUNCRDH-UHFFFAOYSA-N

Data: 6 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 8 hits for monomerid = 50236960   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2L receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Concentration required for the inhibitory activity against human Farnesyltransferase				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D4 receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236960 (CHEMBL4060403) Show SMILES Clc1cccc(N2CCN(CCCC(=O)Nc3ccn4ncc(C=O)c4c3)CC2)c1Cl Show InChI InChI=1S/C22H23Cl2N5O2/c23-18-3-1-4-19(22(18)24)28-11-9-27(10-12-28)7-2-5-21(31)26-17-6-8-29-20(13-17)16(15-30)14-25-29/h1,3-4,6,8,13-15H,2,5,7,9-12H2,(H,26,31)	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	13	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 min...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair