BDBM50437876 CHEMBL2407931

SMILES: Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O

InChI Key: InChIKey=NJCCHNXUSBDCQP-QBHOUYDASA-N

Data: 3 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 = 50437876   

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
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50437876 (CHEMBL2407931) Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50437876 (CHEMBL2407931) Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at GPBAR1 in human NCI-H716 cells assessed as stimulation of cAMP production				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50437876 (CHEMBL2407931) Show SMILES Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)N1CCC(CC1)C(O)=O)c1ccccc1C)N=O |r| Show InChI InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26-27H,12-13,15-16,18H2,1-2H3,(H,32,33)/t26-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Agonist activity at recombinant human GPBAR1 expressed in CHO cells				Bioorg Med Chem Lett 23: 4627-32 (2013) Article DOI: 10.1016/j.bmcl.2013.06.017 BindingDB Entry DOI: 10.7270/Q2833TF1
					More data for this Ligand-Target Pair