BDBM50272451 CHEMBL508043::N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-2-((R)-1-(3,4-dichlorophenylsulfonyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

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

InChI Key: InChIKey=QODRQOSQUODVHZ-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 = 50272451   

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))	BDBM50272451 (CHEMBL508043 | N-((R)-7-((tert-butylamino)methyl)c...) Show SMILES CC(C)(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/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	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))	BDBM50272451 (CHEMBL508043 | N-((R)-7-((tert-butylamino)methyl)c...) Show SMILES CC(C)(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/C30H32Cl2N4O5S/c1-30(2,3)33-17-18-8-10-20-23(12-13-41-27(20)14-18)34-28(37)16-26-29(38)35-24-6-4-5-7-25(24)36(26)42(39,40)19-9-11-21(31)22(32)15-19/h4-11,14-15,23,26,33H,12-13,16-17H2,1-3H3,(H,34,37)(H,35,38)/t23-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	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