BDBM50243395 CHEMBL510373::rac, anti-7,9-difluoro-5-(3-methylcyclohex-2-en-1-yl)-2,2,4-trimethyl 2,5-dihydro-(1H)6-oxa-1-aza-chrysen

SMILES: CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12

InChI Key: InChIKey=NNEGFNICKYKFDF-GYCJOSAFSA-N

Data: 1 KI  2 EC50

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 = 50243395   

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
Progesterone receptor (Homo sapiens (Human))	BDBM50243395 (CHEMBL510373 | rac, anti-7,9-difluoro-5-(3-methylc...) Show SMILES CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity at human progesterone receptor				J Med Chem 51: 3696-9 (2008) Article DOI: 10.1021/jm8004256 BindingDB Entry DOI: 10.7270/Q2H131VC
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50243395 (CHEMBL510373 | rac, anti-7,9-difluoro-5-(3-methylc...) Show SMILES CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at human progesterone receptor				J Med Chem 51: 3696-9 (2008) Article DOI: 10.1021/jm8004256 BindingDB Entry DOI: 10.7270/Q2H131VC
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50243395 (CHEMBL510373 | rac, anti-7,9-difluoro-5-(3-methylc...) Show SMILES CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27| Show InChI InChI=1S/C26H27F2NO/c1-14-6-5-7-16(10-14)24-23-18(19-11-17(27)12-20(28)25(19)30-24)8-9-21-22(23)15(2)13-26(3,4)29-21/h8-13,16,24,29H,5-7H2,1-4H3/t16-,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Agonist activity at human progesterone receptor in human T47D cells assessed as alkaline phosphatase activity				J Med Chem 51: 3696-9 (2008) Article DOI: 10.1021/jm8004256 BindingDB Entry DOI: 10.7270/Q2H131VC
					More data for this Ligand-Target Pair