BDBM50060434 3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole::CHEMBL119668

SMILES: Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F

InChI Key: InChIKey=SGMZXGQIMCPURW-UHFFFAOYSA-N

Data: 4 IC50  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 6 hits for monomerid = 50060434   

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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060434 (3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...) Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing 5-hydroxytryptamine 1D receptor				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060434 (3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...) Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060434 (3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...) Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50060434 (3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...) Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060434 (3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...) Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50060434 (3-(3-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-...) Show SMILES Fc1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1F Show InChI InChI=1S/C25H28F2N6/c26-23-5-3-19(14-24(23)27)7-9-32-12-10-31(11-13-32)8-1-2-20-16-28-25-6-4-21(15-22(20)25)33-17-29-30-18-33/h3-6,14-18,28H,1-2,7-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells				J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8
					More data for this Ligand-Target Pair