BDBM50097727 (S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-nitro-phenyl]-hydrazinothiocarbonyl}-pyrrolidine-2-carboxylic acid benzhydryl-amide::CHEMBL163510::CHEMBL351059

SMILES: CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=OOHMYZYAQYLRQK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50097727   

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
BDKRB2 (RAT)	BDBM50097727 ((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...) Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay				Bioorg Med Chem Lett 11: 705-9 (2001) BindingDB Entry DOI: 10.7270/Q22V2GNX
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50097727 ((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...) Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay				Bioorg Med Chem Lett 11: 705-9 (2001) BindingDB Entry DOI: 10.7270/Q22V2GNX
					More data for this Ligand-Target Pair
Bradykinin B2 receptor (RAT)	BDBM50097727 ((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...) Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay				Bioorg Med Chem Lett 11: 705-9 (2001) BindingDB Entry DOI: 10.7270/Q22V2GNX
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50097727 ((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...) Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay				Bioorg Med Chem Lett 11: 705-9 (2001) BindingDB Entry DOI: 10.7270/Q22V2GNX
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50097727 ((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...) Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity against Tachykinin receptor 1 in rabbit whole brain membranes using [3H][Sar9Met(O2)]-SP binding assay				Bioorg Med Chem Lett 11: 705-9 (2001) BindingDB Entry DOI: 10.7270/Q22V2GNX
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (GUINEA PIG)	BDBM50097727 ((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...) Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay				Bioorg Med Chem Lett 11: 705-9 (2001) BindingDB Entry DOI: 10.7270/Q22V2GNX
					More data for this Ligand-Target Pair