BDBM50074984 (E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-p-tolyl-acrylamide::CHEMBL114401

SMILES: CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl

InChI Key: InChIKey=VUYAWMABHWBZIO-SDNWHVSQSA-N

Data: 1 KI  1 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 = 50074984   

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
B2 bradykinin receptor (Cavia porcellus)	BDBM50074984 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C28H25Cl2N3O3S/c1-17-7-9-19(10-8-17)11-14-25(34)31-15-26(35)33(3)22-13-12-21(29)20(27(22)30)16-36-23-5-4-6-24-28(23)32-18(2)37-24/h4-14H,15-16H2,1-3H3,(H,31,34)/b14-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074984 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C28H25Cl2N3O3S/c1-17-7-9-19(10-8-17)11-14-25(34)31-15-26(35)33(3)22-13-12-21(29)20(27(22)30)16-36-23-5-4-6-24-28(23)32-18(2)37-24/h4-14H,15-16H2,1-3H3,(H,31,34)/b14-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]-BK to bradykinin B2 receptors of guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair
B2 bradykinin receptor (Cavia porcellus)	BDBM50074984 ((E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-y...) Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(C)cc1)c1ccc(Cl)c(COc2cccc3sc(C)nc23)c1Cl Show InChI InChI=1S/C28H25Cl2N3O3S/c1-17-7-9-19(10-8-17)11-14-25(34)31-15-26(35)33(3)22-13-12-21(29)20(27(22)30)16-36-23-5-4-6-24-28(23)32-18(2)37-24/h4-14H,15-16H2,1-3H3,(H,31,34)/b14-11+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Hoechst Marion Roussel GmbH Curated by ChEMBL					Assay Description Inhibition of BK-induced (4x10E-8M) contraction of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 9: 327-32 (1999) BindingDB Entry DOI: 10.7270/Q2416W7C
					More data for this Ligand-Target Pair