BDBM50071958 Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL419505

SMILES: Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl

InChI Key: InChIKey=JUXYQVLOCMVIJF-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50071958   

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))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at dopamine receptor D3				J Med Chem 44: 3175-86 (2001) BindingDB Entry DOI: 10.7270/Q2WD419S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human Dopamine receptor D3 transfected in CHO cell membranes to stimulate [3H]-thymidine uptake				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against 5-hydroxytryptamine 2 receptor from rat				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dopamine receptor D2 subtype from primate				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at human dopamine receptor D2				J Med Chem 44: 3175-86 (2001) BindingDB Entry DOI: 10.7270/Q2WD419S
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	547	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Alpha-1 adrenergic receptor from rat				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity at human dopamine receptor D4				J Med Chem 44: 3175-86 (2001) BindingDB Entry DOI: 10.7270/Q2WD419S
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human Dopamine receptor D4 transfected in CHO cell membranes				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dopamine receptor D1 transfected in CHO cell membranes				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50071958 (Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-...) Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl Show InChI InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against human Dopamine receptor D5 transfected in CHO cell membranes				Bioorg Med Chem Lett 8: 2715-8 (1999) BindingDB Entry DOI: 10.7270/Q200018M
					More data for this Ligand-Target Pair