BDBM50409627 CHEMBL185572

SMILES: Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1

InChI Key: InChIKey=GUIGWNGIQKNZBN-HHHXNRCGSA-N

Data: 1 IC50  3 Kd

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 4 hits for monomerid = 50409627   

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))	BDBM50409627 (CHEMBL185572) Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Neurokinin 2 receptor				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50409627 (CHEMBL185572) Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1	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	n/a	1.26	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay				J Med Chem 45: 5365-77 (2002) BindingDB Entry DOI: 10.7270/Q2JD4Z0T
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50409627 (CHEMBL185572) Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1	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	n/a	1	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay				J Med Chem 45: 5365-77 (2002) BindingDB Entry DOI: 10.7270/Q2JD4Z0T
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Oryctolagus cuniculus)	BDBM50409627 (CHEMBL185572) Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description pA2 for NK2 receptor of rabbit pulmonary artery				Bioorg Med Chem Lett 15: 3957-61 (2005) Article DOI: 10.1016/j.bmcl.2005.05.134 BindingDB Entry DOI: 10.7270/Q20G3JQM
					More data for this Ligand-Target Pair