BDBM50030094 (R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-indol-3-ylmethyl)-17-isopropyl-hexadecahydro-3a,6,9,12,15,18,21-heptaaza-cyclopentacyclohenicosene-4,7,10,13,16,19,22-heptaone::CHEMBL2370509

SMILES: [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1

InChI Key: InChIKey=XVVRWYWOSKYJQI-BUCIFIAKSA-N

Data: 2 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 2 hits for monomerid = 50030094   

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 1 receptor (Homo sapiens (Human))	BDBM50030094 ((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50030094 ((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair