BDBM50355069 CHEMBL1835756

SMILES: O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O

InChI Key: InChIKey=DIWJGBFGFDDTTQ-GDLZYMKVSA-N

Data: 2 KI  2 IC50

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 = 50355069   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50355069 (CHEMBL1835756) Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human B1 receptor				J Med Chem 54: 7232-46 (2011) Article DOI: 10.1021/jm200808v BindingDB Entry DOI: 10.7270/Q28C9WP1
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50355069 (CHEMBL1835756) Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to human B1 bradykinin receptor				Bioorg Med Chem Lett 22: 619-22 (2011) Article DOI: 10.1016/j.bmcl.2011.10.068 BindingDB Entry DOI: 10.7270/Q25X29CW
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50355069 (CHEMBL1835756) Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human B1 bradykinin receptor expressed in CHO cells by aqueorin-based calcium flux assay				Bioorg Med Chem Lett 22: 619-22 (2011) Article DOI: 10.1016/j.bmcl.2011.10.068 BindingDB Entry DOI: 10.7270/Q25X29CW
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Oryctolagus cuniculus)	BDBM50355069 (CHEMBL1835756) Show SMILES O=C(N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)c1cccc(c1)-c1coc2ccccc2c1=O |r| Show InChI InChI=1S/C32H32N2O3/c35-31-27-11-2-3-13-30(27)37-21-28(31)24-8-6-10-25(19-24)32(36)33-29-12-7-9-23-18-22(14-15-26(23)29)20-34-16-4-1-5-17-34/h2-3,6,8,10-11,13-15,18-19,21,29H,1,4-5,7,9,12,16-17,20H2,(H,33,36)/t29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	476	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at rabbit B1 bradykinin receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 619-22 (2011) Article DOI: 10.1016/j.bmcl.2011.10.068 BindingDB Entry DOI: 10.7270/Q25X29CW
					More data for this Ligand-Target Pair