BDBM31889 BMS 961::BMS270394::BMS961

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O

InChI Key: InChIKey=AANFHDFOMFRLLR-LJQANCHMSA-N

Data: 1 KI  1 Kd  2 Other

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 31889   

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
Retinoic Acid Receptor, gamma (Homo sapiens (Human))	BDBM31889 (BMS 961 | BMS270394 | BMS961) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	1.5	-11.2	n/a	n/a	n/a	n/a	n/a	8.0	4
Institut de Génétique et de Biologie Moléculaire et Cellulaire (IGBMC)					Assay Description Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...				Chem Biol 6: 519-29 (1999) Article DOI: 10.1016/S1074-5521(99)80084-2 BindingDB Entry DOI: 10.7270/Q2CV4G39
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic Acid Receptor, beta (Homo sapiens (Human))	BDBM31889 (BMS 961 | BMS270394 | BMS961) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.9	4
CNRS					Assay Description Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...				J Mol Biol 302: 155-70 (2000) Article DOI: 10.1006/jmbi.2000.4032 BindingDB Entry DOI: 10.7270/Q2BR8QHR
					More data for this Ligand-Target Pair
Retinoic Acid Receptor, gamma (Homo sapiens (Human))	BDBM31889 (BMS 961 | BMS270394 | BMS961) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	528	n/a	n/a	n/a	7.9	4
CNRS					Assay Description Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...				J Mol Biol 302: 155-70 (2000) Article DOI: 10.1006/jmbi.2000.4032 BindingDB Entry DOI: 10.7270/Q2BR8QHR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic Acid Receptor, alpha (Homo sapiens (Human))	BDBM31889 (BMS 961 | BMS270394 | BMS961) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.9	4
CNRS					Assay Description Recombinant RAR protein expressed in E. coli was used in the direct binding assay. The apparent dissociation constants (Kd) were determined by the ch...				J Mol Biol 302: 155-70 (2000) Article DOI: 10.1006/jmbi.2000.4032 BindingDB Entry DOI: 10.7270/Q2BR8QHR
					More data for this Ligand-Target Pair