BDBM50019958 4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-piperidin-4-ol::CHEMBL59186

SMILES: OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=KBCLXZNRFSYDIG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50019958   

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 (Rattus norvegicus (rat))	BDBM50019958 (4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...) Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019958 (4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...) Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 was determined in rat				J Med Chem 30: 2099-104 (1987) BindingDB Entry DOI: 10.7270/Q2W959R8
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019958 (4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...) Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat				J Med Chem 30: 2099-104 (1987) BindingDB Entry DOI: 10.7270/Q2W959R8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50019958 (4-(4-Chloro-phenyl)-1-[5-(4-fluoro-phenyl)-1H-pyrr...) Show SMILES OC1(CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClFN2O/c23-18-5-3-17(4-6-18)22(27)11-13-26(14-12-22)15-20-9-10-21(25-20)16-1-7-19(24)8-2-16/h1-10,25,27H,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat				J Med Chem 30: 2099-104 (1987) BindingDB Entry DOI: 10.7270/Q2W959R8
					More data for this Ligand-Target Pair