BDBM50083097 CHEMBL342805::Carbamic acid (R)-2-phenyl-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-ethyl ester

SMILES: NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1

InChI Key: InChIKey=ZHGLEKXSQXRAFZ-SANMLTNESA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50083097   

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))	BDBM50083097 (CHEMBL342805 | Carbamic acid (R)-2-phenyl-2-{1-[3-...) Show SMILES NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H33N7O2/c28-27(35)36-17-26(20-5-2-1-3-6-20)32-22-10-13-33(14-11-22)12-4-7-21-16-29-25-9-8-23(15-24(21)25)34-18-30-31-19-34/h1-3,5-6,8-9,15-16,18-19,22,26,29,32H,4,7,10-14,17H2,(H2,28,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50083097 (CHEMBL342805 | Carbamic acid (R)-2-phenyl-2-{1-[3-...) Show SMILES NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H33N7O2/c28-27(35)36-17-26(20-5-2-1-3-6-20)32-22-10-13-33(14-11-22)12-4-7-21-16-29-25-9-8-23(15-24(21)25)34-18-30-31-19-34/h1-3,5-6,8-9,15-16,18-19,22,26,29,32H,4,7,10-14,17H2,(H2,28,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50083097 (CHEMBL342805 | Carbamic acid (R)-2-phenyl-2-{1-[3-...) Show SMILES NC(=O)OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1 Show InChI InChI=1S/C27H33N7O2/c28-27(35)36-17-26(20-5-2-1-3-6-20)32-22-10-13-33(14-11-22)12-4-7-21-16-29-25-9-8-23(15-24(21)25)34-18-30-31-19-34/h1-3,5-6,8-9,15-16,18-19,22,26,29,32H,4,7,10-14,17H2,(H2,28,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 1D receptor stably expressed in CHO cells by [3H]-5-HT displacement.				J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77
					More data for this Ligand-Target Pair