BDBM50505284 CHEMBL4576324

SMILES: CNC(=O)C[C@H]1CCCN(C1)C1CCN(CC[C@@H](\C(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)=N\OC)c2ccc(Cl)c(Cl)c2)CC1

InChI Key: InChIKey=GVVCESGMKYLPQX-SAYCYBPYSA-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 = 50505284   

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 3 receptor (Homo sapiens (Human))	BDBM50505284 (CHEMBL4576324) Show SMILES CNC(=O)C[C@H]1CCCN(C1)C1CCN(CC[C@@H](\C(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C33H43Cl4N5O3/c1-38-32(43)15-22-5-4-11-42(20-22)27-8-12-41(13-9-27)14-10-28(23-6-7-29(36)30(37)18-23)31(39-45-3)21-40(2)33(44)24-16-25(34)19-26(35)17-24/h6-7,16-19,22,27-28H,4-5,8-15,20-21H2,1-3H3,(H,38,43)/b39-31+/t22-,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [125I][MePhe]NKB from human NK3 receptor expressed in CHO cells membranes				J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50505284 (CHEMBL4576324) Show SMILES CNC(=O)C[C@H]1CCCN(C1)C1CCN(CC[C@@H](\C(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C33H43Cl4N5O3/c1-38-32(43)15-22-5-4-11-42(20-22)27-8-12-41(13-9-27)14-10-28(23-6-7-29(36)30(37)18-23)31(39-45-3)21-40(2)33(44)24-16-25(34)19-26(35)17-24/h6-7,16-19,22,27-28H,4-5,8-15,20-21H2,1-3H3,(H,38,43)/b39-31+/t22-,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]NKA from human NK2 receptor expressed in CHO cells membranes				J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50505284 (CHEMBL4576324) Show SMILES CNC(=O)C[C@H]1CCCN(C1)C1CCN(CC[C@@H](\C(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)=N\OC)c2ccc(Cl)c(Cl)c2)CC1 |r| Show InChI InChI=1S/C33H43Cl4N5O3/c1-38-32(43)15-22-5-4-11-42(20-22)27-8-12-41(13-9-27)14-10-28(23-6-7-29(36)30(37)18-23)31(39-45-3)21-40(2)33(44)24-16-25(34)19-26(35)17-24/h6-7,16-19,22,27-28H,4-5,8-15,20-21H2,1-3H3,(H,38,43)/b39-31+/t22-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]Sar SP from human NK1 receptor expressed in CHO cells membranes				J Med Chem 62: 8881-8914 (2019) Article DOI: 10.1021/acs.jmedchem.9b00017
					More data for this Ligand-Target Pair