BDBM50002943 CHEMBL394878

SMILES: CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1

InChI Key: InChIKey=SKKXRUVXCQJZGP-XMGIQNEDSA-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 = 50002943   

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))	BDBM50002943 (CHEMBL394878) Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50002943 (CHEMBL394878) Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (GUINEA PIG)	BDBM50002943 (CHEMBL394878) Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Agonist activity at NK2 receptor in guinea pig smooth muscle				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair