BDBM50272449 2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-((R)-7-((isopropylamino)methyl)chroman-4-yl)acetamide::CHEMBL452331

SMILES: CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=YBAWIIPUVZKECJ-ZEQKJWHPSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50272449   

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))	BDBM50272449 (2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...) Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H30Cl2N4O5S/c1-17(2)32-16-18-7-9-20-23(11-12-40-27(20)13-18)33-28(36)15-26-29(37)34-24-5-3-4-6-25(24)35(26)41(38,39)19-8-10-21(30)22(31)14-19/h3-10,13-14,17,23,26,32H,11-12,15-16H2,1-2H3,(H,33,36)(H,34,37)/t23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique				Bioorg Med Chem Lett 18: 4477-81 (2008) Article DOI: 10.1016/j.bmcl.2008.07.055 BindingDB Entry DOI: 10.7270/Q2F76CCT
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50272449 (2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,...) Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C29H30Cl2N4O5S/c1-17(2)32-16-18-7-9-20-23(11-12-40-27(20)13-18)33-28(36)15-26-29(37)34-24-5-3-4-6-25(24)35(26)41(38,39)19-8-10-21(30)22(31)14-19/h3-10,13-14,17,23,26,32H,11-12,15-16H2,1-2H3,(H,33,36)(H,34,37)/t23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells				Bioorg Med Chem Lett 18: 4477-81 (2008) Article DOI: 10.1016/j.bmcl.2008.07.055 BindingDB Entry DOI: 10.7270/Q2F76CCT
					More data for this Ligand-Target Pair