BDBM36811 BMS614

SMILES: CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=WGLMBRZXZDAQHP-UHFFFAOYSA-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 = 36811   

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 Receptors Gamma / Alpha (Homo sapiens (Human))	BDBM36811 (BMS614) Show SMILES CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |t:4| Show InChI InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)	PDB GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents	Article PubMed	1	-11.4	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
Retinoic Acid Receptor, alpha (Homo sapiens (Human))	BDBM36811 (BMS614) Show SMILES CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |t:4| Show InChI InChI=1S/C29H24N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-13,15-17H,14H2,1-2H3,(H,31,32)(H,33,34)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents	MMDB Article PubMed	2.5	-10.9	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