BDBM50357621 CHEMBL1915673

SMILES: CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2C)Oc2ccccc12

InChI Key: InChIKey=NCSFMOQPIRSCAX-NRFANRHFSA-N

Data: 1 KI  1 IC50

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 = 50357621   

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
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50357621 (CHEMBL1915673) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2C)Oc2ccccc12 |r| Show InChI InChI=1S/C28H30N2O5/c1-17-9-10-20(14-27(31)32)13-23(17)29-28(33)22-11-12-25(19(3)18(22)2)34-16-21-15-30(4)24-7-5-6-8-26(24)35-21/h5-13,21H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t21-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting				Bioorg Med Chem 19: 6935-48 (2011) Article DOI: 10.1016/j.bmc.2011.08.065 BindingDB Entry DOI: 10.7270/Q2K35V22
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Mus musculus)	BDBM50357621 (CHEMBL1915673) Show SMILES CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(O)=O)ccc3C)c(C)c2C)Oc2ccccc12 |r| Show InChI InChI=1S/C28H30N2O5/c1-17-9-10-20(14-27(31)32)13-23(17)29-28(33)22-11-12-25(19(3)18(22)2)34-16-21-15-30(4)24-7-5-6-8-26(24)35-21/h5-13,21H,14-16H2,1-4H3,(H,29,33)(H,31,32)/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at mouse prostanoid DP receptor expressed in CHO cells assessed as inhibition of PGD2-induced intracellular cAMP production after...				Bioorg Med Chem 19: 6935-48 (2011) Article DOI: 10.1016/j.bmc.2011.08.065 BindingDB Entry DOI: 10.7270/Q2K35V22
					More data for this Ligand-Target Pair