BDBM50409575 CHEMBL339767::ZD-7944

SMILES: CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O

InChI Key: InChIKey=JYCLPXSCZKCIMO-YEFUCVGBSA-N

Data: 3 KI

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 = 50409575   

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
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to human Tachykinin receptor 1 expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair